data_1x5a_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 1x5a _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 ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 28.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' CE3' ' A' ' 30' ' ' TRP . 51.2 mt -37.41 139.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' CG ' HG21 ' A' ' 29' ' ' THR . 0.0 OUTLIER -131.81 143.26 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 28.2 tp -76.0 102.99 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 20' ' ' LYS . 2.0 t -73.47 -55.43 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 19' ' ' VAL . 36.8 ttpt -141.05 133.91 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -101.17 111.14 23.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -128.13 157.01 75.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -27.28 26.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -133.66 29.61 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -164.23 150.88 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -154.19 117.91 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -109.85 145.15 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.48 154.36 44.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 17' ' ' LYS . 14.2 t -145.85 135.43 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.501 ' CE2' HG23 ' A' ' 79' ' ' VAL . 37.5 p90 -128.88 113.87 15.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 m -140.69 177.21 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -148.1 134.78 19.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 11.5 tp10 -99.02 121.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -103.38 135.11 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -136.86 113.43 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' CG1' ' CZ2' ' A' ' 55' ' ' TRP . 67.2 t -106.31 138.49 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.33 141.34 51.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.07 176.12 7.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -43.99 -58.62 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.75 29.79 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -146.13 114.64 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 126.56 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.438 ' CZ2' ' CG1' ' A' ' 48' ' ' VAL . 6.0 p90 -144.6 148.23 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -129.34 154.05 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -156.05 114.87 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -73.01 125.3 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.34 143.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -95.49 17.06 15.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.13 152.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.739 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 1.63 4.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -118.81 160.74 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -157.62 133.92 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.79 111.57 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.69 132.1 46.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -126.74 176.76 7.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt 61.08 41.96 13.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.59 165.31 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -95.75 141.34 23.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.68 51.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 13.8 t70 56.3 54.08 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 m -138.74 135.88 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.1 m -82.88 116.41 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -112.75 119.28 37.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.42 133.99 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.476 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 20.5 t -130.21 144.44 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 77' ' ' VAL . 7.3 ptm180 -152.39 121.32 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 30' ' ' TRP . 11.4 p -116.94 144.52 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.447 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -140.63 134.27 30.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -69.44 132.16 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -85.69 142.37 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 82' ' ' LEU . 2.5 p -141.26 152.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.68 12.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.8 mt -125.15 92.82 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.68 85.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.488 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.15 47.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.4 157.41 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.33 21.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 14.1 m-85 -87.29 115.47 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 p -40.49 155.18 0.19 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.63 33.42 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.87 109.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -90.62 104.82 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.24 107.38 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 23.7 m-85 -121.23 145.16 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -122.62 133.53 54.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.8 p -77.19 164.74 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -65.18 143.73 98.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 148.43 64.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 18.2 mt -42.88 152.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.66 140.29 31.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.39 98.78 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 1.8 t -73.35 -57.78 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -128.67 134.98 48.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -106.77 99.2 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -117.2 155.17 50.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -121.06 29.28 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -165.98 155.68 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 mt -155.87 121.18 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -116.72 133.7 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -135.35 162.8 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 t -151.0 137.14 18.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' HD22 ' A' ' 46' ' ' LEU . 22.9 p90 -126.01 110.01 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -115.19 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -148.71 136.66 20.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.04 120.97 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -107.05 134.11 50.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 16.4 t-160 -133.68 116.96 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' C ' HD13 ' A' ' 49' ' ' LEU . 98.5 t -111.34 133.01 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -120.86 154.71 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 33.0 t30 -142.59 173.94 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -44.26 -54.93 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.28 21.44 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 57.4 mt-10 -141.54 114.49 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -128.46 122.04 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -135.81 158.11 45.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -133.14 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -149.94 122.51 8.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 ttp -77.69 120.53 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -109.34 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -97.89 21.37 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -148.59 154.43 41.07 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.667 0.746 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -119.35 142.07 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.76 133.03 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 65' ' ' LEU . 2.0 tm? -113.94 112.13 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.6 mt -98.76 123.54 43.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt 60.67 40.97 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.69 -175.9 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -119.43 144.11 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.56 69.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 46.6 46.72 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.491 HG21 ' CZ ' ' A' ' 75' ' ' TYR . 95.4 m -127.54 134.29 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.9 m -79.79 120.68 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.491 ' CZ ' HG21 ' A' ' 73' ' ' THR . 56.0 m-85 -124.69 120.08 30.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.41 133.92 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.483 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 51.5 t -132.43 143.2 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' HG11 ' A' ' 77' ' ' VAL . 9.8 ptp180 -153.68 122.9 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.452 HG22 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -115.3 144.55 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -141.19 132.85 27.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 m -70.01 125.75 27.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' C ' HG23 ' A' ' 83' ' ' THR . 11.5 mt -82.73 138.99 33.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.419 HG23 ' C ' ' A' ' 82' ' ' LEU . 3.0 p -133.59 152.09 78.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -36.73 10.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.09 92.87 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.56 84.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 151.44 68.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.55 54.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -91.63 120.51 32.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 p -40.12 155.01 0.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.2 Cg_endo -69.78 136.6 33.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -38.06 116.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 26.9 m80 -102.71 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.79 105.1 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.8 m-85 -112.74 146.01 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -127.96 126.44 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -71.16 164.43 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -60.46 142.89 90.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.716 0.769 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.08 55.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 41.9 mt -74.63 102.66 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -97.69 131.59 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.78 109.2 16.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -45.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 104.94 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.72 79.28 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -110.99 157.67 38.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.16 20.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -124.87 28.1 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -167.41 148.24 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 98' ' ' THR . 29.5 mt -156.99 130.18 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -121.03 138.17 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -122.36 159.88 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -149.35 124.13 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CH2' HD22 ' A' ' 46' ' ' LEU . 35.3 p90 -126.37 103.94 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p -136.99 177.44 7.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -138.95 134.68 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -99.89 121.01 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -104.23 135.82 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -133.76 112.55 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.6 t -109.11 131.79 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mp -125.43 155.44 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLU . 45.7 t30 -141.66 177.16 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -44.41 -58.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.3 30.01 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' ASN . 37.9 mt-10 -146.97 115.39 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -126.74 121.15 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.4 p90 -142.91 137.74 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -115.89 154.77 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -157.79 124.47 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -78.44 128.4 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.07 145.41 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.8 mt -85.04 -29.95 24.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 150.47 36.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.754 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.75 2.65 3.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.733 2.288 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -124.71 134.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.73 140.16 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.55 112.29 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.82 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.4 p -117.58 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt 62.65 41.29 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -101.32 162.46 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -92.62 142.1 25.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.11 56.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t70 54.64 51.52 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.8 m -137.13 129.82 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -73.51 133.43 43.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -131.66 121.69 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.7 mm -91.11 138.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 63.0 t -142.22 144.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -148.96 118.06 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -108.23 145.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.487 ' NH1' ' CE2' ' A' ' 90' ' ' PHE . 20.7 ptt180 -140.63 142.9 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -76.76 97.57 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' C ' HG22 ' A' ' 83' ' ' THR . 11.9 mt -62.09 139.0 58.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.418 HG22 ' C ' ' A' ' 82' ' ' LEU . 3.6 p -134.2 152.14 77.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.727 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.57 10.53 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 mt -125.19 92.62 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.0 84.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.45 65.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.24 161.09 54.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.82 51.94 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.487 ' CE2' ' NH1' ' A' ' 80' ' ' ARG . 9.6 m-85 -63.32 143.83 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -64.15 155.64 78.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 134.59 28.48 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.24 119.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.0 m80 -105.92 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.64 111.22 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.7 m-85 -115.9 153.54 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp-105 -132.05 128.35 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 26' ' ' LEU . 17.3 p -81.12 151.02 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.0 t -50.08 144.06 11.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.75 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.06 46.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD23 ' CE3' ' A' ' 30' ' ' TRP . 9.7 mt -76.22 134.14 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HE3' ' CG2' ' A' ' 29' ' ' THR . 4.7 pttp -129.97 147.27 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -78.91 102.32 8.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.9 t -80.38 -56.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 19' ' ' VAL . 33.5 tptt -128.13 118.92 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.27 103.55 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -124.22 159.05 58.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.459 ' N ' ' HB3' ' A' ' 99' ' ' SER . 53.8 Cg_endo -69.75 -29.35 24.08 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -129.31 30.66 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -167.87 148.22 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 98' ' ' THR . 16.4 mt -147.92 115.09 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -106.24 137.1 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -139.05 152.25 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.473 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 9.9 t -147.61 138.33 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CE3' HD23 ' A' ' 16' ' ' LEU . 32.2 p90 -125.51 113.55 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 p -124.94 175.55 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -141.32 133.09 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -99.6 121.05 40.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -105.35 129.43 53.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 19.3 t-160 -129.22 110.45 11.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.544 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 96.6 t -103.43 124.88 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.72 159.42 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -151.38 172.65 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -38.42 -67.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.8 26.91 6.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -139.79 115.09 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.75 118.07 23.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.544 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 16.5 p90 -141.6 150.2 41.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -132.21 140.44 48.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -140.5 123.51 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -74.02 125.44 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.67 137.63 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -93.06 17.71 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.51 153.49 55.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.2 Cg_endo -69.8 1.29 4.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -119.42 138.25 53.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.48 136.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 1.1 tm? -114.36 113.78 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 mt -103.04 132.82 49.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -127.24 177.93 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mttt 60.62 46.48 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 mt -103.48 165.14 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -100.5 141.2 22.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.68 43.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.7 46.85 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 74' ' ' THR . 16.1 m -133.2 147.85 52.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 73' ' ' THR . 74.6 m -92.74 121.33 34.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -116.88 118.33 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.06 132.28 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 78' ' ' ARG . 24.5 t -127.36 142.07 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 77' ' ' VAL . 5.5 ptp180 -148.23 129.6 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.417 HG22 ' CZ2' ' A' ' 30' ' ' TRP . 6.2 p -126.06 141.44 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -140.46 155.21 46.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.1 m -87.15 126.77 35.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' C ' HG21 ' A' ' 83' ' ' THR . 1.9 mm? -80.89 141.13 34.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.418 HG21 ' C ' ' A' ' 82' ' ' LEU . 1.3 p -136.43 152.87 75.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.44 10.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.73 93.46 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.84 89.49 0.62 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.12 39.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.77 163.15 8.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.62 49.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -83.67 120.54 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -41.33 155.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.65 33.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -45.48 119.78 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 17.5 m80 -97.0 112.79 24.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.33 104.96 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.4 m-85 -119.56 154.0 34.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -136.11 137.49 41.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 26' ' ' LEU . 45.0 p -82.91 -176.74 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.459 ' HB3' ' N ' ' A' ' 23' ' ' PRO . 11.6 t -82.56 142.97 46.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.34 64.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.75 108.32 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.85 131.18 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -70.16 102.56 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.9 t -74.54 -63.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -129.98 135.15 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -109.58 110.66 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.34 156.8 60.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.703 0.763 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.72 14.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 12.6 mtp-105 -123.37 29.58 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' CG ' HD11 ' A' ' 65' ' ' LEU . 6.3 tt0 -163.73 162.09 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -154.23 120.72 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -118.38 129.28 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.76 163.54 27.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.413 ' CG2' HG21 ' A' ' 19' ' ' VAL . 11.6 t -150.23 127.42 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.8 p90 -123.34 111.3 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.096 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 m -114.13 -175.82 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -153.36 140.65 19.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -99.75 121.1 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 130.71 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.481 ' CE1' HH21 ' A' ' 78' ' ' ARG . 6.6 t-160 -132.06 110.67 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 49' ' ' LEU . 61.2 t -100.88 139.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' N ' HG12 ' A' ' 48' ' ' VAL . 6.2 mp -130.86 123.96 30.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.464 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 39.2 t30 -111.33 -177.56 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' ASN . 11.7 mp0 -35.82 -66.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.01 5.76 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -118.31 116.99 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.9 121.62 37.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -137.76 137.44 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -116.17 149.84 38.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -145.88 121.0 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.59 117.09 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -111.13 151.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.54 -34.2 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -93.26 152.02 40.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 3.19 2.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -118.52 119.29 34.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.02 130.67 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -111.76 109.7 19.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 65' ' ' LEU . 7.2 mt -95.92 142.37 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -131.83 -175.92 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.2 mttp 51.03 44.03 28.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.62 173.63 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.37 143.23 26.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.15 69.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.8 t70 47.33 54.2 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -140.81 133.67 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.2 m -76.27 128.62 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.464 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 67.9 m-85 -126.11 113.36 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mm -80.39 133.12 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 78' ' ' ARG . 61.5 t -131.31 140.25 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.481 HH21 ' CE1' ' A' ' 47' ' ' HIS . 25.3 ptt180 -146.96 121.08 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.557 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.2 p -114.79 155.77 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.46 145.31 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -78.84 145.8 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' C ' HG21 ' A' ' 83' ' ' THR . 1.5 mm? -96.33 139.5 32.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 82' ' ' LEU . 3.2 p -134.41 151.89 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.09 93.06 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.23 89.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.06 69.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.66 159.76 50.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.77 26.45 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -86.12 125.58 33.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -48.12 153.01 1.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.4 Cg_endo -69.7 136.99 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -40.52 121.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 37.8 m80 -103.98 107.32 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.37 107.03 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.2 m-85 -117.7 163.14 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -136.34 133.17 36.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 p -83.1 154.66 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -50.84 143.18 15.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 147.28 62.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 94' ' ' HIS . 43.5 mt -64.96 99.66 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -90.43 136.82 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.56 87.1 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 HG22 ' CD ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -54.35 -67.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -126.47 139.39 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -112.75 98.89 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -107.34 154.63 40.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.19 34.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.0 -9.49 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -126.8 154.65 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 98' ' ' THR . 11.8 mt -160.09 118.99 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 18.2 tt0 -116.56 149.99 38.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 7.9 mt -139.38 153.5 47.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -141.04 127.29 19.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ2' HG22 ' A' ' 79' ' ' VAL . 32.0 p90 -124.52 110.63 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 179.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -130.39 179.35 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -144.73 134.71 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.88 120.95 40.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.524 HD23 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -107.56 131.78 53.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 4.2 t-160 -128.92 113.94 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.554 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 75.1 t -110.85 118.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 49' ' ' LEU . 5.2 mp -107.49 134.1 51.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -107.0 171.95 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 34.0 mt-30 -40.27 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -108.49 35.22 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -152.71 163.33 39.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' CG ' ' HE2' ' A' ' 47' ' ' HIS . 3.2 tt0 -152.91 126.49 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 3.0 p90 -148.0 140.72 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -130.35 148.15 52.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -143.25 128.08 18.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttp -77.98 126.5 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.45 137.24 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.1 -30.8 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 150.45 44.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.83 3.41 2.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -133.68 126.33 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.8 p -107.76 153.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 113.37 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.52 133.14 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -135.88 176.79 8.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 mttp 58.94 48.36 11.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 52.6 mt -104.49 169.36 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -100.27 139.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.66 67.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t0 54.55 46.26 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 m -134.17 142.31 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.1 m -87.55 129.41 35.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -126.77 123.31 37.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.4 mm -91.43 134.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 78' ' ' ARG . 44.5 t -136.3 141.45 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' HG11 ' A' ' 77' ' ' VAL . 19.4 ptt180 -147.42 121.71 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.565 HG22 ' CZ2' ' A' ' 30' ' ' TRP . 3.9 p -118.9 149.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -152.08 145.51 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.2 m -60.54 107.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.94 123.75 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 p -126.73 151.74 73.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.38 7.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.2 mt -125.42 92.58 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.75 68.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.84 52.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.77 162.82 53.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 151.23 68.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 8.9 m-85 -73.96 137.04 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -61.05 158.15 36.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 134.75 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.289 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.8 117.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.6 m80 -99.31 113.37 25.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -74.95 108.81 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 48.3 m-85 -117.93 159.64 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -138.97 138.4 37.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 26' ' ' LEU . 16.9 p -84.06 151.21 25.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.0 t -52.53 142.76 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.64 57.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' LEU . 82.4 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' SER . 38.1 mt -36.09 103.22 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -96.91 136.48 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.0 tp -86.79 99.45 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.03 -62.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 130.92 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -115.73 96.69 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -105.58 155.65 37.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.93 30.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -129.45 15.82 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 33.9 tt0 -158.02 159.16 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 13.5 mt -151.04 132.32 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 51.0 tt0 -131.68 121.86 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -118.68 171.13 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 29' ' ' THR . 13.8 t -153.47 116.66 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 62' ' ' PRO . 34.4 p90 -118.6 108.36 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.0 p -149.12 178.09 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.78 130.42 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -100.03 121.27 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.502 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -108.17 132.31 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.6 t-160 -131.58 108.1 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 46' ' ' LEU . 89.3 t -104.11 139.45 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -125.05 130.04 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.546 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -100.78 170.39 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 16.9 mm-40 -37.65 -68.32 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.99 37.1 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -153.05 164.73 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -157.45 128.28 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -145.93 151.49 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -126.81 145.93 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -146.03 113.4 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.417 ' HE3' ' C ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -71.15 130.42 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 ' C ' ' HE3' ' A' ' 58' ' ' MET . 27.7 m -120.87 151.55 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 ' CE ' ' A' ' 58' ' ' MET . 30.5 mt -93.33 -25.62 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.92 153.79 49.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.548 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.347 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -127.85 -177.08 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -164.0 136.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tm? -113.85 107.35 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.2 136.82 33.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -131.21 -175.59 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt 50.18 49.33 20.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.2 -175.22 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -118.91 143.51 33.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.91 51.67 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.433 HG21 ' CE2' ' A' ' 75' ' ' TYR . 54.9 m -137.26 137.49 39.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -83.64 119.83 25.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.433 ' CE2' HG21 ' A' ' 73' ' ' THR . 58.8 m-85 -118.91 113.98 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.0 mm -75.66 140.33 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.3 t -141.1 136.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -143.97 127.37 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.536 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 2.3 p -126.25 168.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -165.44 -176.45 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -110.97 85.3 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -42.84 147.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 p -126.91 151.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 mt -125.11 97.07 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.75 85.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.05 47.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.404 ' CA ' ' CZ ' ' A' ' 80' ' ' ARG . . . -96.54 175.39 31.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.21 25.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -95.95 129.96 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p -37.83 155.78 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.696 0.76 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.72 136.3 32.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -40.47 106.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.8 m80 -90.29 109.74 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 105.25 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 31.8 m-85 -120.48 146.42 46.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 97' ' ' ARG . 18.5 ttm105 -132.68 136.41 46.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -81.94 158.54 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 143.17 24.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.37 64.91 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.918 0.389 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' CE3' ' A' ' 30' ' ' TRP . 38.2 mt -72.28 145.19 48.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 2.4 ptpp? -140.05 156.71 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -92.65 110.66 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 t -104.85 -49.33 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 27' ' ' GLU . 6.3 ttmt -120.25 103.6 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -99.12 87.28 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.93 161.22 24.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.74 21.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.77 24.06 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -160.93 148.4 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -144.82 128.66 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 16.6 tt0 -124.24 126.28 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -127.66 165.35 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 t -150.31 138.21 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.519 ' CE3' HD22 ' A' ' 16' ' ' LEU . 30.7 p90 -127.81 107.86 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -138.95 174.51 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -138.56 134.2 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 29.9 tt0 -100.34 120.94 40.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.42 134.76 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' CD2' HD12 ' A' ' 49' ' ' LEU . 5.0 t-160 -135.68 113.02 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 69.5 t -106.85 131.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 2.6 mp -122.28 152.98 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.538 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -143.86 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 14.7 mm-40 -34.16 -63.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -127.56 28.73 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' ASN . 19.3 mt-10 -140.27 113.97 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.18 113.98 19.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.541 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 12.1 p90 -137.28 145.14 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.21 141.31 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.21 118.75 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -73.34 129.69 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.59 144.87 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -90.03 -25.86 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -90.41 153.14 46.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.14 3.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.71 170.59 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.32 139.15 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -116.16 111.29 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.0 mt -98.1 126.33 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.3 p -120.34 -178.23 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 54.15 46.98 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.76 -177.94 3.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -117.79 143.81 33.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.73 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t0 54.98 54.53 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 75' ' ' TYR . 93.8 m -135.77 130.35 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.2 m -76.25 121.14 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 73' ' ' THR . 51.9 m-85 -123.07 123.7 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.57 137.46 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 78' ' ' ARG . 39.5 t -133.94 150.28 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' N ' HG12 ' A' ' 77' ' ' VAL . 7.2 ptm180 -157.48 126.23 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 30' ' ' TRP . 4.3 p -121.97 147.65 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.493 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 12.4 ptt180 -144.29 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -83.15 106.54 15.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 10.0 mt -68.29 141.17 55.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 p -131.8 152.23 79.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.159 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.234 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.0 mt -125.02 92.91 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.24 84.63 0.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.37 67.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.44 169.39 54.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.13 17.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 m-85 -97.31 129.46 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -48.35 155.85 0.88 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.8 Cg_endo -69.79 136.3 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -42.21 112.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 47.4 m80 -94.37 107.7 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.9 109.19 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 42.0 m-85 -122.26 154.54 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -134.58 136.3 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.2 p -79.34 167.52 20.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -66.56 142.45 97.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.86 68.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 11.3 mt -56.32 146.81 22.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 6.6 ptmt -137.13 156.89 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -94.18 95.47 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.31 -55.43 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -132.89 125.12 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -101.04 126.5 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -143.63 158.67 56.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.685 0.755 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' N ' ' HB2' ' A' ' 99' ' ' SER . 54.0 Cg_endo -69.79 -30.78 21.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -129.69 28.8 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -163.83 154.74 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -152.31 126.54 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -117.14 129.85 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -136.3 156.61 48.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 7.6 t -146.52 134.84 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CH2' HD21 ' A' ' 46' ' ' LEU . 41.9 p90 -127.72 112.7 15.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.562 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 18.4 m -99.04 174.83 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 43' ' ' SER . 15.7 m-85 -144.51 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -98.99 120.99 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -104.11 131.25 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 23.4 t-160 -133.03 110.46 10.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -102.53 132.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 47' ' ' HIS . 6.0 mp -123.33 114.18 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 13.0 t-20 -86.86 174.15 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.11 -45.44 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.04 6.9 9.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-10 -131.68 160.65 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.74 121.23 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p90 -148.18 145.54 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -127.5 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -141.65 125.9 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -81.01 128.47 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.27 158.3 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.05 -32.08 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -87.4 151.48 50.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.463 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 5.35 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -121.77 158.12 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.65 128.16 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -110.4 109.79 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -96.82 138.8 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.5 p -130.69 175.64 8.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? 63.47 44.16 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.65 -176.55 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -120.15 142.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 143.36 50.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t0 63.04 41.17 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -128.03 139.66 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.4 m -88.92 125.98 35.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 74.9 m-85 -123.7 124.53 42.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.6 mm -90.76 132.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 45.9 t -129.65 143.86 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HA ' ' CD1' ' A' ' 16' ' ' LEU . 4.0 ptp180 -153.13 126.72 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.526 HG13 ' CD2' ' A' ' 30' ' ' TRP . 4.1 p -118.7 148.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -146.2 135.23 22.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -71.29 123.27 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.414 ' C ' HG22 ' A' ' 83' ' ' THR . 11.5 mt -80.89 139.73 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 82' ' ' LEU . 5.2 p -135.29 152.09 76.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.73 10.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.52 92.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.31 84.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.65 65.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.66 43.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 177.21 5.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.5 118.72 36.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -39.0 155.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.92 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -42.17 109.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.3 m80 -94.56 103.64 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -73.64 111.63 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 53.9 m-85 -117.49 155.8 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -129.4 131.52 46.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.4 p -81.96 172.19 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.429 ' HB2' ' N ' ' A' ' 23' ' ' PRO . 17.3 m -68.45 150.73 97.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.64 65.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.135 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.6 mt -71.51 125.45 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -127.18 130.68 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.4 tp -72.53 98.17 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 29' ' ' THR . 1.8 t -74.94 -51.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -133.55 133.16 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.22 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 157.45 38.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.44 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -113.72 26.68 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -161.58 154.15 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.7 mt -150.34 126.15 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -121.65 126.27 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.81 164.48 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 19' ' ' VAL . 14.1 t -153.73 119.76 5.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.494 ' CE2' HG22 ' A' ' 79' ' ' VAL . 35.0 p90 -119.19 104.06 10.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -120.43 177.94 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -137.26 134.24 35.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -99.36 120.74 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.13 130.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.556 ' CE1' HD13 ' A' ' 49' ' ' LEU . 22.0 t-160 -131.06 113.78 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.422 ' C ' HD12 ' A' ' 49' ' ' LEU . 84.5 t -107.82 132.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -122.67 158.74 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.528 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -148.1 169.54 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 66.8 mt-30 -34.09 -64.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.09 31.21 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.7 mm-40 -143.55 115.78 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -124.41 116.04 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -141.6 149.89 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -134.67 143.96 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.43 131.06 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -78.4 137.95 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.6 142.68 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.24 20.96 9.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -145.87 149.86 40.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.76 3.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -129.3 127.23 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 65' ' ' LEU . 12.3 p -119.25 141.15 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -116.02 109.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.16 137.26 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 82.0 p -136.08 169.05 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 71.84 24.99 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.95 169.66 11.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -101.43 142.9 25.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.32 68.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.2 47.21 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 74' ' ' THR . 25.3 m -134.49 144.27 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 73' ' ' THR . 88.9 m -94.08 123.05 37.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -119.86 122.85 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.21 135.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 78' ' ' ARG . 55.8 t -134.01 145.84 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.8 ptp85 -155.11 118.53 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 HG22 ' CE2' ' A' ' 30' ' ' TRP . 5.7 p -110.69 147.59 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -141.79 144.57 34.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.4 m -76.25 104.22 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 ' C ' HG21 ' A' ' 83' ' ' THR . 12.7 mt -69.92 138.01 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.424 HG21 ' C ' ' A' ' 82' ' ' LEU . 3.1 p -136.23 152.71 75.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.7 18.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.2 mt -125.26 92.46 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.37 82.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.41 59.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.17 163.26 42.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.44 14.4 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.398 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.1 126.52 36.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 p -45.92 154.8 0.55 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.689 0.756 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 54.1 Cg_endo -69.75 136.68 33.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' PRO . 4.1 p30 -35.91 120.29 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.4 m80 -108.38 103.63 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.58 108.84 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 24.7 m-85 -123.19 145.3 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -126.57 141.09 51.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.6 p -82.78 177.08 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -75.85 142.35 73.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.692 0.758 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.69 63.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.95 106.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -100.68 130.54 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.68 98.66 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -65.24 -65.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' N ' HG11 ' A' ' 19' ' ' VAL . 42.2 tttp -148.9 112.05 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 7.8 ptpp? -84.31 155.43 22.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -149.54 161.45 31.68 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.724 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.89 25.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -130.71 19.82 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -162.72 163.64 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 21' ' ' LYS . 11.9 mt -155.4 124.63 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -133.11 163.91 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 t -152.43 128.66 10.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CZ2' HG22 ' A' ' 79' ' ' VAL . 35.0 p90 -128.83 113.75 15.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 p -145.12 176.94 9.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.05 136.64 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.95 122.05 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -109.21 129.37 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -130.5 108.25 9.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.453 ' HB ' ' CE2' ' A' ' 55' ' ' TRP . 58.5 t -104.27 135.42 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 49' ' ' LEU . 2.2 mp -121.73 126.01 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.514 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -98.17 168.16 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 61.7 mt-30 -35.26 -74.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -110.99 34.07 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -149.61 164.06 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -156.11 130.72 8.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.453 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 15.8 p90 -145.02 149.12 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.17 142.03 51.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -144.47 135.75 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.4 ttp -89.39 133.0 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.58 138.76 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.52 -23.13 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.71 154.74 45.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.67 2.88 3.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -129.99 176.64 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -156.88 145.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.14 106.79 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.06 135.99 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 p -136.22 175.77 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 62.43 45.91 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.81 179.16 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -107.48 139.67 20.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.722 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.83 51.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.9 t70 57.77 48.94 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.5 m -137.54 141.31 41.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.9 m -80.23 132.23 35.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.51 121.54 27.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.419 ' C ' HG23 ' A' ' 77' ' ' VAL . 3.5 mm -85.23 137.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 78' ' ' ARG . 41.4 t -136.98 141.66 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.466 ' N ' HG11 ' A' ' 77' ' ' VAL . 13.9 ptp180 -151.42 124.13 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.542 HG22 ' CZ2' ' A' ' 30' ' ' TRP . 7.1 p -118.6 152.42 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.656 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 10.9 ptt180 -153.71 145.44 23.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -77.09 110.83 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' HG23 ' A' ' 83' ' ' THR . 11.9 mt -73.73 137.78 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 82' ' ' LEU . 1.6 p -133.84 152.53 78.87 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.563 0.697 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -35.47 12.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.97 92.96 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.65 83.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.45 67.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.66 164.59 48.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.83 59.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.0 m-85 -85.84 119.27 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' PHE . 16.7 p -37.59 153.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.705 0.764 . . . . 0.0 110.811 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' ASP . 53.5 Cg_endo -69.76 135.62 30.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' PRO . 1.5 p30 -37.58 99.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.7 m80 -90.53 104.91 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -67.68 136.84 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.9 m-85 -144.37 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -131.65 141.83 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.8 p -83.97 163.29 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -66.93 149.09 98.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.724 0.773 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 147.76 63.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.316 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' LEU . 10.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 58.3 mt -33.92 120.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -116.62 137.12 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -93.35 85.8 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -68.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -112.44 134.54 53.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -111.46 89.81 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.3 153.34 38.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.64 37.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -126.94 -24.64 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -113.57 160.84 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 98' ' ' THR . 8.0 mt -165.52 112.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -108.84 150.7 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -138.89 149.74 45.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -143.13 131.05 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CE2' HG22 ' A' ' 79' ' ' VAL . 31.7 p90 -124.3 109.34 13.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 m -123.17 177.41 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -141.81 135.75 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.94 122.64 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.82 128.42 54.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -126.49 117.57 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -108.63 133.15 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 49' ' ' LEU . 1.5 mp -128.42 124.92 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' GLN . 58.7 t30 -112.29 178.94 4.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.2 tt0 -33.72 -63.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 3.48 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -116.52 113.69 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -122.52 114.94 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -131.6 129.08 40.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.62 154.93 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -153.9 127.36 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 ttp -78.19 126.69 31.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.72 142.88 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.08 -28.35 22.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -94.53 153.19 40.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.459 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 6.89 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -126.07 150.19 48.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 p -137.05 136.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.19 112.62 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -110.22 128.32 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.9 p -131.26 -174.8 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 56.65 44.42 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 14.2 mt -101.79 174.12 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -105.97 141.92 23.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.6 48.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t0 58.27 53.28 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -138.24 143.27 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -89.42 120.15 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 66.7 m-85 -117.87 124.16 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.4 mm -90.89 138.31 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 23.5 t -141.99 137.71 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -142.04 133.26 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.488 HG22 ' CE2' ' A' ' 30' ' ' TRP . 8.5 p -123.57 146.94 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -149.09 142.18 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -72.03 107.36 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' C ' HG22 ' A' ' 83' ' ' THR . 10.2 mt -67.6 141.94 56.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.408 HG22 ' C ' ' A' ' 82' ' ' LEU . 3.9 p -133.11 152.02 78.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -40.23 5.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.6 mt -125.07 92.67 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.86 80.75 1.25 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.79 43.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.3 166.09 30.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.18 61.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.15 144.2 33.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -63.01 156.27 68.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 134.8 28.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.86 105.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 12.0 m80 -85.65 107.51 17.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.37 107.64 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 27.2 m-85 -120.32 144.17 47.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -129.2 136.8 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 26' ' ' LEU . 16.7 p -82.35 145.32 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.4 t -43.89 142.21 2.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.762 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.08 56.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.93 120.49 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.29 135.41 54.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 26' ' ' LEU . 25.7 tp -84.51 97.26 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -42.22 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -113.71 113.11 24.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.99 87.65 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -115.93 156.74 46.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -21.03 33.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.61 27.16 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -168.65 152.03 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' A' ' 98' ' ' THR . 41.9 mt -156.39 126.86 6.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -113.13 142.63 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 77' ' ' VAL . 15.7 mt -131.23 153.3 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -141.58 125.06 16.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.581 ' CH2' HD21 ' A' ' 46' ' ' LEU . 32.2 p90 -125.83 106.67 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.455 ' CB ' ' HE1' ' A' ' 58' ' ' MET . 69.7 m -117.85 176.32 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -137.61 133.03 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -98.67 120.81 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.581 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -108.54 132.27 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 56' ' ' HIS . 6.9 t-160 -133.93 110.93 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.556 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 58.8 t -105.56 133.35 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 49' ' ' LEU . 5.6 mp -124.66 162.08 24.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLU . 34.1 t30 -150.89 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -48.31 -60.16 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 23.44 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' ASN . 57.5 mt-10 -136.88 115.49 12.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.64 116.04 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.556 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 6.5 p90 -138.8 154.7 48.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -141.53 143.48 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -149.15 134.72 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE1' ' CB ' ' A' ' 43' ' ' SER . 3.0 ttp -82.07 122.44 27.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.37 142.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.18 18.31 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -138.14 150.64 67.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.72 4.08 2.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -133.23 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.32 135.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -112.38 109.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.2 140.07 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.2 p -133.57 177.84 7.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 59.54 47.66 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -107.4 168.71 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.57 141.58 22.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.69 33.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 62.11 54.95 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 m -141.48 135.85 30.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.1 m -75.99 125.85 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.94 121.73 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.5 mm -90.77 138.49 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 28' ' ' LEU . 58.3 t -139.98 148.95 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' HG13 ' A' ' 77' ' ' VAL . 27.1 ptt180 -153.28 127.43 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.472 ' HB ' ' CD2' ' A' ' 46' ' ' LEU . 7.7 p -122.37 144.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 9.1 ptt180 -149.24 152.56 36.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -83.7 135.88 34.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' C ' HG21 ' A' ' 83' ' ' THR . 4.1 mm? -83.05 145.84 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.443 HG21 ' C ' ' A' ' 82' ' ' LEU . 4.1 p -135.31 152.15 76.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.9 mt -125.42 95.78 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 91.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.63 51.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.59 160.89 23.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 144.98 55.63 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.2 m-85 -71.95 137.12 47.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -55.89 153.82 15.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.45 25.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -38.2 110.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.0 m80 -91.79 107.1 18.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -67.82 109.44 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.3 m-85 -119.27 151.07 39.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -129.55 122.58 29.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.455 HG21 ' CD1' ' A' ' 26' ' ' LEU . 72.4 p -68.96 166.62 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 t -64.45 132.35 95.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.84 63.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.33 146.51 53.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 5.9 ptmt -138.48 152.04 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -89.0 97.37 11.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -69.63 -59.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 19' ' ' VAL . 21.2 ttpt -136.14 126.14 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -94.17 123.11 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -139.35 157.33 70.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.18 5.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -119.2 28.94 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 39.4 tt0 -163.06 154.14 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD13 ' CG2' ' A' ' 98' ' ' THR . 19.0 mt -152.32 115.49 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -107.19 142.57 36.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.77 160.49 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 14.1 t -153.97 138.03 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CH2' HD21 ' A' ' 46' ' ' LEU . 33.6 p90 -128.65 107.38 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.457 ' CB ' ' HE2' ' A' ' 58' ' ' MET . 1.3 p -127.96 -176.66 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -145.71 136.2 24.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.8 120.6 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -111.69 130.18 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.465 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 8.3 t-160 -130.77 106.07 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.3 t -99.24 138.52 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -125.32 161.69 26.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.572 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 57.7 t30 -150.7 168.54 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -33.79 -64.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.07 26.03 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -140.92 115.47 9.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CG ' ' HE2' ' A' ' 47' ' ' HIS . 4.5 tt0 -122.32 127.59 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -147.57 140.98 25.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -127.85 152.67 47.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -150.61 135.08 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.457 ' HE2' ' CB ' ' A' ' 43' ' ' SER . 2.1 ttp -82.32 119.53 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.0 143.12 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.5 -24.7 21.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.78 152.86 45.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.546 ' O ' ' CD2' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.79 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -123.88 166.12 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -151.38 133.97 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.28 107.44 18.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.6 mt -93.73 129.61 40.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.0 p -130.99 173.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 mttp 61.43 42.79 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.84 -177.95 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.68 142.51 26.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 135.13 29.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 60.33 50.77 5.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.1 m -135.24 137.45 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.4 m -80.67 125.05 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 65.6 m-85 -123.06 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -90.68 140.2 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 78' ' ' ARG . 11.1 t -137.0 148.83 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' N ' HG11 ' A' ' 77' ' ' VAL . 5.4 ptp85 -157.56 125.98 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 ' CD2' ' A' ' 30' ' ' TRP . 8.1 p -119.08 147.68 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 7.3 ptm180 -134.75 172.24 13.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -112.59 106.27 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.76 145.64 23.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 p -152.53 153.68 30.82 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.564 0.697 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.15 17.19 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.64 2.227 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -125.29 93.89 4.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.33 100.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.31 57.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.478 ' O ' ' NE ' ' A' ' 80' ' ' ARG . . . -62.26 150.34 46.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.56 10.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CE1' ' HD2' ' A' ' 80' ' ' ARG . 8.2 m-85 -52.58 110.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -38.3 155.85 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.73 136.52 33.29 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -38.73 104.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 43.5 m80 -89.86 104.83 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 122.91 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 46.2 m-85 -133.7 145.9 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -124.16 133.52 53.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.447 ' CG2' HD13 ' A' ' 26' ' ' LEU . 19.5 p -80.24 165.65 22.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -64.32 142.32 98.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.59 63.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.23 122.14 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.72 140.99 45.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 58.0 tp -94.97 92.65 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 HG21 ' CG2' ' A' ' 29' ' ' THR . 1.6 t -67.4 -57.74 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -151.19 114.79 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 21.3 pttt -94.75 141.18 28.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -130.69 161.32 61.78 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.83 33.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -130.87 -4.42 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -138.93 169.17 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' N ' ' OE1' ' A' ' 25' ' ' GLN . 12.2 mt -156.8 116.52 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -108.26 113.78 27.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.07 162.0 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.448 ' CG2' HG21 ' A' ' 19' ' ' VAL . 13.9 t -153.86 125.78 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CH2' HD21 ' A' ' 46' ' ' LEU . 19.2 p90 -112.79 105.98 14.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.7 m -117.03 175.32 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.09 135.82 32.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -99.68 123.16 43.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -108.91 135.26 50.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.557 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 5.7 t-160 -137.63 113.19 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.99 135.39 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.65 119.17 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -91.73 170.51 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 19.3 mm-40 -42.8 -70.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.06 26.17 10.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ASN . 11.1 mm-40 -145.32 159.97 42.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.62 129.24 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -148.97 140.11 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -126.09 159.56 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -157.48 123.27 4.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -73.81 130.62 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.38 156.87 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.3 mt -101.56 -33.43 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.88 154.38 58.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 3.53 2.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.26 147.73 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.29 135.43 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.92 103.59 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mt -98.3 121.91 40.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 p -116.53 -178.41 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 mttt 55.76 46.57 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -106.26 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -119.5 142.27 32.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.54 65.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 45.6 52.06 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 m -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 m -84.21 119.36 24.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -121.44 136.91 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.45 125.69 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 78' ' ' ARG . 36.5 t -121.17 143.37 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG11 ' A' ' 77' ' ' VAL . 7.1 ptp180 -148.61 123.6 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.493 HG22 ' CE2' ' A' ' 30' ' ' TRP . 9.8 p -124.56 143.19 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.1 144.81 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.5 m -72.2 125.53 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.43 ' C ' HG21 ' A' ' 83' ' ' THR . 11.6 mt -87.3 138.26 31.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 82' ' ' LEU . 8.6 p -135.79 152.12 75.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -34.62 14.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.5 mt -125.64 92.28 3.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.08 75.43 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.13 32.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.9 158.31 8.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -86.67 121.87 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -43.67 155.37 0.32 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.741 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.5 Cg_endo -69.74 134.88 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -40.17 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 58.8 m80 -95.21 109.08 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.91 110.53 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 57.2 m-85 -117.19 159.0 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -137.98 128.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -73.92 175.06 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -75.76 139.72 70.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 148.24 64.58 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.96 0.409 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 25.1 mt -51.39 112.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -100.56 133.05 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.0 tp -84.16 92.59 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 27' ' ' GLU . 13.4 m -61.03 -55.86 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 138.0 37.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -109.58 90.45 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -104.48 158.29 32.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -32.32 18.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -126.22 29.37 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -165.8 143.74 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD1' ' CG2' ' A' ' 98' ' ' THR . 33.4 mt -157.69 115.47 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 57.2 tt0 -109.71 158.38 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 10.9 mt -144.99 149.12 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.46 HG23 ' CG1' ' A' ' 19' ' ' VAL . 3.2 t -139.02 119.11 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.508 ' CE2' HG23 ' A' ' 79' ' ' VAL . 31.0 p90 -116.11 103.98 11.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 m -125.65 174.82 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -135.96 135.91 39.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -98.78 120.9 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.82 130.64 55.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 13.7 t-160 -134.25 114.41 13.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 49' ' ' LEU . 62.0 t -105.92 137.61 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' N ' HG11 ' A' ' 48' ' ' VAL . 5.2 mp -125.47 148.48 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 43.8 t30 -138.51 173.65 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.0 tt0 -33.89 -67.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -129.08 28.15 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -139.58 114.09 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.44 125.86 47.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.441 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 1.4 p90 -148.46 135.24 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -122.56 147.21 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -146.65 127.85 14.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.8 125.5 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -114.33 144.74 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -87.19 -30.25 21.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -87.88 152.94 51.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -127.78 156.23 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.34 146.55 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.2 tm? -122.42 111.72 17.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.13 133.6 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -129.71 -179.79 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 56.77 45.01 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.89 -179.08 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.11 139.31 23.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.968 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.06 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 59.73 49.97 7.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.8 m -137.13 131.2 32.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.8 m -72.75 128.96 37.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 40.3 m-85 -127.89 126.63 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.79 127.44 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.58 138.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -136.52 145.87 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 30' ' ' TRP . 4.3 p -146.72 149.62 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.461 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -147.81 175.39 10.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.438 ' O ' ' NH2' ' A' ' 80' ' ' ARG . 27.4 m -109.25 97.19 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' C ' HG21 ' A' ' 83' ' ' THR . 2.2 mm? -46.1 153.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.401 HG21 ' C ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -133.9 154.63 80.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -39.15 6.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -125.51 106.4 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.7 94.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.22 59.48 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 176.79 51.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -110.91 129.98 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 p -40.62 155.9 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 135.93 31.53 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -43.09 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.4 m80 -82.11 107.68 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.18 106.33 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 41.8 m-85 -117.8 154.16 32.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -135.4 133.93 39.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.501 ' CG2' ' CD1' ' A' ' 26' ' ' LEU . 23.0 p -81.75 159.23 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -55.15 143.8 52.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.02 61.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD22 ' CE3' ' A' ' 30' ' ' TRP . 15.5 mt -76.82 115.45 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -108.77 135.15 50.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.08 90.42 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 27' ' ' GLU . 11.9 m -63.05 -55.35 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -124.19 137.44 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -113.19 83.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.55 155.6 39.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.21 28.93 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.756 2.304 . . . . 0.0 112.32 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -130.34 28.7 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -167.41 138.69 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.499 ' CD1' ' CG2' ' A' ' 98' ' ' THR . 48.1 mt -156.38 117.16 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 39.6 tt0 -112.01 158.06 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -138.04 149.94 46.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -138.87 117.89 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.649 ' CZ2' ' CG2' ' A' ' 79' ' ' VAL . 39.6 p90 -121.55 106.81 11.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -138.19 175.45 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 81' ' ' THR . 7.9 m-85 -145.83 139.94 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -101.96 121.17 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -106.11 136.04 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -135.66 117.65 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.509 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 88.0 t -114.61 129.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.7 mp -117.01 123.13 46.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -96.2 170.17 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 21.5 mt-30 -41.23 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.3 35.3 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -152.97 163.03 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CG ' ' HE2' ' A' ' 47' ' ' HIS . 5.5 tt0 -157.06 114.26 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.509 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 4.3 p90 -133.7 143.91 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -130.17 142.85 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -145.66 130.94 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.3 ttp -79.92 125.2 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.59 148.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.52 -22.55 22.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -111.56 153.5 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.74 1.58 4.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.45 117.75 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 135.55 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -108.66 107.83 18.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.29 127.01 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -129.27 -178.23 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 mttt 57.24 41.32 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 mt -96.04 -176.19 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' N ' ' OH ' ' A' ' 75' ' ' TYR . 70.1 mt-30 -113.98 138.06 22.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.33 42.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 25.9 t70 60.08 49.75 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 74' ' ' THR . 32.7 m -141.81 143.0 33.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 73' ' ' THR . 29.0 m -86.12 125.82 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' N ' ' A' ' 70' ' ' GLN . 65.5 m-85 -119.21 115.92 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mm -82.37 133.45 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -137.81 148.88 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -151.75 128.14 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.649 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 9.2 p -125.31 142.92 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -140.32 144.3 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.46 HG21 ' CE2' ' A' ' 44' ' ' TYR . 3.1 m -82.7 99.44 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' C ' HG21 ' A' ' 83' ' ' THR . 5.2 mp -66.73 165.97 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -147.57 161.09 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 53.7 Cg_endo -69.74 -23.33 31.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -126.02 91.44 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.84 100.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.91 41.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.0 173.76 27.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -111.02 130.4 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -46.4 155.76 0.54 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.0 Cg_endo -69.8 136.63 33.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -38.87 115.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 42.8 m80 -101.73 107.99 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.16 104.73 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.4 m-85 -112.13 144.2 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -123.37 140.66 52.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.499 ' CG2' ' CD1' ' A' ' 26' ' ' LEU . 22.2 p -94.71 144.25 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -46.82 142.54 4.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.09 68.15 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 94' ' ' HIS . 8.6 mt -46.2 163.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -144.27 156.55 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 57.3 tp -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG22 ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.1 -72.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -135.0 99.46 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -72.36 138.22 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.66 153.98 81.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -14.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -131.57 -7.89 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -138.88 168.2 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 9.9 mt -161.97 113.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' CG ' HG22 ' A' ' 19' ' ' VAL . 30.5 tt0 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mt -149.27 155.31 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -150.53 129.21 12.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CE3' HD22 ' A' ' 16' ' ' LEU . 24.5 p90 -119.8 105.1 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.876 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 m -102.64 172.2 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -142.45 133.14 25.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -99.24 120.74 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.502 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -106.41 134.64 49.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.5 t-160 -136.12 119.4 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.562 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 99.1 t -114.02 131.75 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.29 153.72 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -141.53 170.55 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.551 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 10.3 mm100 -35.04 -63.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -129.74 33.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ASN . 66.7 mt-10 -145.9 117.43 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.11 122.2 37.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.562 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 7.0 p90 -146.19 139.19 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -121.78 149.07 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -145.94 119.53 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -75.87 132.31 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.6 143.1 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 mt -88.17 -18.93 27.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.87 153.64 39.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -123.71 131.91 53.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.486 HG21 ' N ' ' A' ' 65' ' ' LEU . 9.2 p -125.88 142.07 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -114.96 110.95 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.9 mt -97.54 128.79 44.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.9 p -125.05 175.02 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt 60.16 42.9 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 32.1 mt -102.27 169.64 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -107.57 139.14 20.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 47.76 42.6 15.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.8 m -135.03 141.37 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 m -91.28 113.04 25.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 78.6 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.411 ' C ' HG21 ' A' ' 77' ' ' VAL . 19.9 mm -67.84 142.2 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 96' ' ' PHE . 15.0 t -133.81 148.01 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -161.4 125.47 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.497 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.6 p -124.34 147.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -145.02 143.2 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -77.01 116.66 17.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' C ' HG22 ' A' ' 83' ' ' THR . 11.7 mt -75.0 138.98 42.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.418 HG22 ' C ' ' A' ' 82' ' ' LEU . 6.5 p -133.69 152.2 78.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.0 8.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.41 92.3 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.8 80.3 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 142.19 46.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.29 38.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.49 38.08 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' SER . 7.7 m-85 -83.66 119.74 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' PHE . 4.5 p -37.29 156.35 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.08 18.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.04 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' HD12 ' A' ' 16' ' ' LEU . 86.9 m-70 -81.93 -176.93 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.1 114.99 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.494 ' CD2' HG22 ' A' ' 77' ' ' VAL . 95.5 m-85 -127.74 139.94 52.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -131.13 148.5 52.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.7 p -94.2 149.99 20.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -51.98 151.75 6.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.79 63.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.878 0.371 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 27.4 mt -66.85 112.02 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -108.3 137.59 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 tp -88.31 107.98 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -44.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -133.64 129.63 37.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -114.77 87.81 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -105.82 157.54 34.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.87 32.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -134.89 28.42 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' CA ' HD12 ' A' ' 69' ' ' LEU . 41.8 tt0 -168.5 149.17 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.9 mt -156.6 126.37 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -116.91 142.44 46.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 77' ' ' VAL . 5.5 mt -133.26 154.14 50.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -140.14 127.02 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 79' ' ' VAL . 31.2 p90 -126.93 104.15 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.136 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.423 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 7.1 p -117.17 -176.2 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 81' ' ' THR . 10.1 m-85 -157.22 139.0 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.2 123.14 42.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.14 132.85 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.423 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 21.5 t-160 -133.03 112.95 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 49' ' ' LEU . 82.5 t -107.97 137.15 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -124.97 147.61 48.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 75' ' ' TYR . 29.1 t30 -139.86 175.08 9.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -41.37 -61.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.91 20.77 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' ASN . 21.0 mt-10 -137.69 114.7 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -134.14 113.01 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -132.4 159.29 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -132.59 133.65 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.08 129.04 27.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -82.06 128.25 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.17 138.15 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.9 mt -79.7 -27.94 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -93.96 148.97 36.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.462 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.75 3.03 3.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -127.43 127.46 44.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.0 p -116.31 144.01 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.37 107.99 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -98.44 138.18 36.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.418 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 47.4 p -135.84 172.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HG2' ' C ' ' A' ' 67' ' ' THR . 7.6 mmtm 71.55 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 HD12 ' CA ' ' A' ' 25' ' ' GLN . 9.9 mt -81.0 173.39 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.85 142.19 24.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 148.11 63.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 12.4 t70 50.63 50.16 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.9 m -138.54 129.68 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -72.78 121.97 20.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 50' ' ' ASN . 61.1 m-85 -118.98 119.18 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' C ' HG21 ' A' ' 77' ' ' VAL . 27.7 mm -89.55 133.35 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.473 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 27.6 t -136.05 137.37 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 47' ' ' HIS . 9.9 ptp180 -138.12 121.11 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 30' ' ' TRP . 5.1 p -116.09 146.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -148.39 136.54 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.543 HG22 ' CE2' ' A' ' 44' ' ' TYR . 6.7 m -77.23 128.39 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.437 HD12 ' CD ' ' A' ' 80' ' ' ARG . 6.2 mp -88.42 162.33 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -144.62 161.65 42.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.688 . . . . 0.0 111.16 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 54.2 Cg_endo -69.66 -24.57 30.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.87 91.24 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.02 97.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.75 43.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.17 166.14 6.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.38 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.48 138.44 36.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -60.11 155.23 46.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.75 33.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 119.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 22.5 m80 -102.61 107.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -68.03 105.92 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 38.6 m-85 -116.49 149.55 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -127.76 132.99 49.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.0 p -81.02 169.06 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -64.52 142.82 98.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.34 30.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 94' ' ' HIS . 14.6 mt -58.0 107.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -106.71 139.4 41.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.0 tp -85.84 95.06 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -48.64 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -122.39 116.99 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.75 88.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -111.31 151.37 43.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.749 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -23.03 31.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -124.58 8.25 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -150.7 156.15 40.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -160.77 116.38 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -106.57 147.07 29.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt -136.54 134.59 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -130.6 114.94 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 30' ' ' TRP . 37.2 p90 -116.97 104.4 11.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -118.72 174.19 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -132.14 139.91 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -100.8 121.27 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -107.38 134.26 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.7 t-160 -133.74 112.2 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.9 t -106.49 136.89 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 49' ' ' LEU . 2.9 mp -122.32 124.63 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -95.91 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 9.8 mm100 -40.79 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.03 32.64 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -151.35 163.06 39.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -152.92 126.95 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -140.91 150.13 42.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -128.68 150.03 50.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.34 128.62 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -81.61 131.99 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -118.98 140.89 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.19 19.65 10.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.19 153.67 53.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.68 2.85 3.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -129.64 130.19 45.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.49 136.03 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.26 108.75 20.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.5 124.33 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -121.28 179.08 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mttt 59.4 45.33 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.09 174.89 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' NE2' ' HD2' ' A' ' 71' ' ' PRO . 10.4 mm100 -116.24 142.04 28.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.46 ' HD2' ' NE2' ' A' ' 70' ' ' GLN . 54.2 Cg_endo -69.74 141.97 46.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 11.6 t0 59.48 50.89 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.4 m -141.58 138.66 32.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.3 m -83.79 127.53 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -122.5 111.93 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.5 mm -84.99 138.77 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 78' ' ' ARG . 42.0 t -139.79 141.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.454 ' N ' HG13 ' A' ' 77' ' ' VAL . 8.7 ptp85 -143.96 121.5 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 46' ' ' LEU . 8.8 p -115.58 142.79 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -147.29 140.66 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -69.62 125.95 28.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.417 ' C ' HG22 ' A' ' 83' ' ' THR . 10.0 mt -83.21 141.96 31.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 82' ' ' LEU . 2.6 p -132.9 153.33 80.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 53.3 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -125.32 92.73 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.18 80.13 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.99 64.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 80' ' ' ARG . . . -68.76 164.32 49.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -82.42 127.57 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -46.61 156.08 0.54 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.761 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.93 29.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -39.33 109.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -91.16 101.81 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 112.35 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.0 m-85 -121.68 151.77 40.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.96 126.28 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.7 p -79.11 151.01 31.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -53.86 153.29 8.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.38 63.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -95.94 114.96 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 13.4 t -49.19 -61.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.25 -143.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -57.56 177.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -44.48 167.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.33 -41.2 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.427 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.28 93.45 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' SER . 32.3 mm-40 -101.21 26.68 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' GLU . 7.5 t 35.56 41.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 tp -38.83 145.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -84.66 40.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.83 54.23 32.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 30' ' ' TRP . 63.1 mt -128.46 65.11 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 28.8 p -103.59 86.83 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' CE3' ' A' ' 30' ' ' TRP . 51.2 mt -37.41 139.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' CG ' HG21 ' A' ' 29' ' ' THR . 0.0 OUTLIER -131.81 143.26 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 28.2 tp -76.0 102.99 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 20' ' ' LYS . 2.0 t -73.47 -55.43 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 19' ' ' VAL . 36.8 ttpt -141.05 133.91 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -101.17 111.14 23.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -128.13 157.01 75.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -27.28 26.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -133.66 29.61 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -164.23 150.88 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -154.19 117.91 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -109.85 145.15 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.48 154.36 44.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 17' ' ' LYS . 14.2 t -145.85 135.43 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.501 ' CE2' HG23 ' A' ' 79' ' ' VAL . 37.5 p90 -128.88 113.87 15.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.89 150.6 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.54 40.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -111.11 172.11 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.12 145.73 31.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.69 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 63.35 37.26 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 5.1 t30 -87.26 139.85 32.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 37' ' ' ASN . 53.8 Cg_endo -69.73 174.79 8.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.27 -176.11 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' ASN . . . 88.34 58.75 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.9 m-20 -37.2 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 179.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 m -140.69 177.21 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -148.1 134.78 19.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 11.5 tp10 -99.02 121.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -103.38 135.11 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -136.86 113.43 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' CG1' ' CZ2' ' A' ' 55' ' ' TRP . 67.2 t -106.31 138.49 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.33 141.34 51.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.07 176.12 7.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -43.99 -58.62 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.75 29.79 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -146.13 114.64 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 126.56 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.438 ' CZ2' ' CG1' ' A' ' 48' ' ' VAL . 6.0 p90 -144.6 148.23 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -129.34 154.05 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -156.05 114.87 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -73.01 125.3 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.34 143.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -95.49 17.06 15.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.13 152.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.739 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 1.63 4.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -118.81 160.74 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -157.62 133.92 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.79 111.57 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.69 132.1 46.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -126.74 176.76 7.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt 61.08 41.96 13.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.59 165.31 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -95.75 141.34 23.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.68 51.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 13.8 t70 56.3 54.08 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 m -138.74 135.88 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.1 m -82.88 116.41 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -112.75 119.28 37.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.42 133.99 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.476 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 20.5 t -130.21 144.44 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 77' ' ' VAL . 7.3 ptm180 -152.39 121.32 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.501 HG23 ' CE2' ' A' ' 30' ' ' TRP . 11.4 p -116.94 144.52 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.447 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -140.63 134.27 30.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -69.44 132.16 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -85.69 142.37 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 82' ' ' LEU . 2.5 p -141.26 152.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.68 12.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.8 mt -125.15 92.82 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.68 85.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.488 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.15 47.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.4 157.41 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.33 21.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 14.1 m-85 -87.29 115.47 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 p -40.49 155.18 0.19 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.63 33.42 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.87 109.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -90.62 104.82 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.24 107.38 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 23.7 m-85 -121.23 145.16 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -122.62 133.53 54.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.8 p -77.19 164.74 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -65.18 143.73 98.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 148.43 64.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.51 12.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.6 t -38.11 112.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -146.29 171.43 27.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.32 4.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.9 p -148.4 125.74 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.5 p -59.46 141.28 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -50.6 -56.87 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -163.5 153.27 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.2 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -117.77 81.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -142.05 154.35 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.27 111.97 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.3 121.51 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.08 136.48 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.9 p -140.57 110.78 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 13' ' ' GLY . 3.7 tt -61.15 113.94 2.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -49.71 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' HD23 ' A' ' 11' ' ' LEU . . . -174.21 51.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD23 ' CD1' ' A' ' 30' ' ' TRP . 41.9 mt -126.44 51.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -82.73 96.17 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 18.2 mt -42.88 152.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.66 140.29 31.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.39 98.78 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 1.8 t -73.35 -57.78 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -128.67 134.98 48.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -106.77 99.2 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -117.2 155.17 50.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -121.06 29.28 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -165.98 155.68 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.2 mt -155.87 121.18 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -116.72 133.7 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mt -135.35 162.8 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 t -151.0 137.14 18.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CH2' HD22 ' A' ' 46' ' ' LEU . 22.9 p90 -126.01 110.01 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.67 168.34 18.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.07 -63.65 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -72.43 111.41 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.01 130.73 68.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 120.28 7.08 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -47.97 -47.5 32.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -97.93 150.96 37.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 105.33 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.46 -125.29 2.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.19 85.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -94.43 38.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -107.11 160.33 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -115.19 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -148.71 136.66 20.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.04 120.97 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -107.05 134.11 50.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 16.4 t-160 -133.68 116.96 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' C ' HD13 ' A' ' 49' ' ' LEU . 98.5 t -111.34 133.01 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -120.86 154.71 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 33.0 t30 -142.59 173.94 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -44.26 -54.93 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.28 21.44 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 57.4 mt-10 -141.54 114.49 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -128.46 122.04 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -135.81 158.11 45.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -133.14 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -149.94 122.51 8.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 ttp -77.69 120.53 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -109.34 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -97.89 21.37 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -148.59 154.43 41.07 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.667 0.746 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -119.35 142.07 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.76 133.03 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 65' ' ' LEU . 2.0 tm? -113.94 112.13 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.6 mt -98.76 123.54 43.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt 60.67 40.97 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.69 -175.9 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -119.43 144.11 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.56 69.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 46.6 46.72 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.491 HG21 ' CZ ' ' A' ' 75' ' ' TYR . 95.4 m -127.54 134.29 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.9 m -79.79 120.68 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.491 ' CZ ' HG21 ' A' ' 73' ' ' THR . 56.0 m-85 -124.69 120.08 30.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.41 133.92 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.483 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 51.5 t -132.43 143.2 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' HG11 ' A' ' 77' ' ' VAL . 9.8 ptp180 -153.68 122.9 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.452 HG22 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -115.3 144.55 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -141.19 132.85 27.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 m -70.01 125.75 27.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' C ' HG23 ' A' ' 83' ' ' THR . 11.5 mt -82.73 138.99 33.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.419 HG23 ' C ' ' A' ' 82' ' ' LEU . 3.0 p -133.59 152.09 78.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -36.73 10.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.09 92.87 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.56 84.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 151.44 68.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.55 54.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -91.63 120.51 32.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 p -40.12 155.01 0.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.2 Cg_endo -69.78 136.6 33.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -38.06 116.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 26.9 m80 -102.71 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.79 105.1 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.8 m-85 -112.74 146.01 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -127.96 126.44 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.8 p -71.16 164.43 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -60.46 142.89 90.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.716 0.769 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.08 55.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 178.91 4.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -41.96 113.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.18 84.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.7 Cg_endo -69.77 0.06 6.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 104' ' ' PRO . 4.4 m -35.23 150.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 t -109.47 95.83 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 87.6 p -115.86 -31.86 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.5 p 34.79 43.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.34 77.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 6' ' ' SER . 26.9 m -130.65 -58.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 93.4 p -36.01 135.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.99 104.62 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.92 86.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -136.29 105.07 5.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -57.41 147.06 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.3 pt? -112.6 -176.49 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.8 t -33.68 -55.07 0.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.27 77.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 30' ' ' TRP . 61.0 mt -146.72 132.96 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t -142.67 115.57 8.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 41.9 mt -74.63 102.66 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -97.69 131.59 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.78 109.2 16.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -45.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.14 104.94 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.72 79.28 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -110.99 157.67 38.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.16 20.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -124.87 28.1 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -167.41 148.24 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 98' ' ' THR . 29.5 mt -156.99 130.18 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -121.03 138.17 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -122.36 159.88 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -149.35 124.13 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.556 ' CH2' HD22 ' A' ' 46' ' ' LEU . 35.3 p90 -126.37 103.94 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.11 17.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.54 127.54 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.3 p -54.02 109.28 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -126.79 132.89 24.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.29 2.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -125.75 155.65 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -79.72 140.44 54.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.2 6.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.37 130.26 37.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.31 125.49 2.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.37 127.89 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.03 174.3 5.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p -136.99 177.44 7.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -138.95 134.68 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -99.89 121.01 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -104.23 135.82 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -133.76 112.55 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.6 t -109.11 131.79 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mp -125.43 155.44 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLU . 45.7 t30 -141.66 177.16 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -44.41 -58.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.3 30.01 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' ASN . 37.9 mt-10 -146.97 115.39 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -126.74 121.15 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.4 p90 -142.91 137.74 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -115.89 154.77 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -157.79 124.47 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -78.44 128.4 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.07 145.41 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.8 mt -85.04 -29.95 24.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 150.47 36.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.754 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.75 2.65 3.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.733 2.288 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -124.71 134.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.73 140.16 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.55 112.29 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.82 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.4 p -117.58 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt 62.65 41.29 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -101.32 162.46 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -92.62 142.1 25.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.11 56.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t70 54.64 51.52 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.8 m -137.13 129.82 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -73.51 133.43 43.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -131.66 121.69 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.7 mm -91.11 138.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 63.0 t -142.22 144.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -148.96 118.06 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -108.23 145.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.487 ' NH1' ' CE2' ' A' ' 90' ' ' PHE . 20.7 ptt180 -140.63 142.9 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -76.76 97.57 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' C ' HG22 ' A' ' 83' ' ' THR . 11.9 mt -62.09 139.0 58.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.418 HG22 ' C ' ' A' ' 82' ' ' LEU . 3.6 p -134.2 152.14 77.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.727 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.57 10.53 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 mt -125.19 92.62 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.0 84.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.45 65.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.24 161.09 54.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.82 51.94 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.487 ' CE2' ' NH1' ' A' ' 80' ' ' ARG . 9.6 m-85 -63.32 143.83 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -64.15 155.64 78.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 134.59 28.48 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.24 119.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.0 m80 -105.92 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.64 111.22 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.7 m-85 -115.9 153.54 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp-105 -132.05 128.35 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 26' ' ' LEU . 17.3 p -81.12 151.02 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.0 t -50.08 144.06 11.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.75 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.06 46.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -126.76 106.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.93 80.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -4.46 14.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 t -85.49 -60.3 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 95.1 p -67.76 -46.55 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -64.5 158.91 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -86.48 111.85 20.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.23 145.24 5.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -151.48 126.84 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -63.54 164.78 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 -45.05 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.62 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.71 84.23 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -95.86 99.39 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.7 tp -44.37 145.61 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 m -85.7 147.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.85 -38.69 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 30' ' ' TRP . 34.3 mt -137.69 121.35 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 m -146.69 119.35 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD23 ' CE3' ' A' ' 30' ' ' TRP . 9.7 mt -76.22 134.14 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HE3' ' CG2' ' A' ' 29' ' ' THR . 4.7 pttp -129.97 147.27 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -78.91 102.32 8.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.9 t -80.38 -56.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 19' ' ' VAL . 33.5 tptt -128.13 118.92 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.27 103.55 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -124.22 159.05 58.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' N ' ' HB3' ' A' ' 99' ' ' SER . 53.8 Cg_endo -69.75 -29.35 24.08 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -129.31 30.66 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -167.87 148.22 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 98' ' ' THR . 16.4 mt -147.92 115.09 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -106.24 137.1 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mt -139.05 152.25 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.473 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 9.9 t -147.61 138.33 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CE3' HD23 ' A' ' 16' ' ' LEU . 32.2 p90 -125.51 113.55 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 166.98 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.39 95.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -132.05 111.52 11.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 15.2 mtm180 -52.52 -59.31 8.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 53.8 Cg_endo -69.76 168.29 21.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -157.7 115.2 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 4.1 t-20 -124.49 134.08 25.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 97.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.98 120.95 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.23 153.61 24.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -129.55 96.77 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt -142.06 154.88 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 p -124.94 175.55 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -141.32 133.09 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -99.6 121.05 40.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -105.35 129.43 53.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 19.3 t-160 -129.22 110.45 11.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.544 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 96.6 t -103.43 124.88 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.613 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.72 159.42 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -151.38 172.65 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -38.42 -67.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.8 26.91 6.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -139.79 115.09 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.75 118.07 23.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.544 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 16.5 p90 -141.6 150.2 41.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -132.21 140.44 48.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -140.5 123.51 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -74.02 125.44 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.67 137.63 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -93.06 17.71 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.51 153.49 55.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.2 Cg_endo -69.8 1.29 4.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -119.42 138.25 53.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.48 136.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 1.1 tm? -114.36 113.78 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 mt -103.04 132.82 49.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -127.24 177.93 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mttt 60.62 46.48 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 mt -103.48 165.14 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -100.5 141.2 22.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.68 43.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.7 46.85 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 74' ' ' THR . 16.1 m -133.2 147.85 52.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 73' ' ' THR . 74.6 m -92.74 121.33 34.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -116.88 118.33 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.06 132.28 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 78' ' ' ARG . 24.5 t -127.36 142.07 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 77' ' ' VAL . 5.5 ptp180 -148.23 129.6 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.417 HG22 ' CZ2' ' A' ' 30' ' ' TRP . 6.2 p -126.06 141.44 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -140.46 155.21 46.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.1 m -87.15 126.77 35.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' C ' HG21 ' A' ' 83' ' ' THR . 1.9 mm? -80.89 141.13 34.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.418 HG21 ' C ' ' A' ' 82' ' ' LEU . 1.3 p -136.43 152.87 75.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.44 10.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.73 93.46 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.84 89.49 0.62 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.12 39.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.77 163.15 8.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.62 49.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -83.67 120.54 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -41.33 155.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.65 33.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -45.48 119.78 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 17.5 m80 -97.0 112.79 24.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.33 104.96 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.4 m-85 -119.56 154.0 34.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -136.11 137.49 41.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.435 HG21 ' CD1' ' A' ' 26' ' ' LEU . 45.0 p -82.91 -176.74 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.459 ' HB3' ' N ' ' A' ' 23' ' ' PRO . 11.6 t -82.56 142.97 46.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.34 64.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 167.76 23.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 m -63.1 150.72 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.65 145.41 18.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 177.5 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -50.99 131.03 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.8 t -82.48 -47.6 12.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 38.5 m -110.77 -43.43 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 92.8 p 35.8 46.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.85 57.54 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -165.84 145.06 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -130.21 -44.8 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.34 157.13 7.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.54 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.85 155.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.21 -54.59 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -74.78 104.09 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 tp -122.97 73.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 t 39.98 35.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.38 63.36 1.62 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 50.5 mt -141.01 136.15 31.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.892 0.377 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p -146.21 105.2 3.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.75 108.32 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.85 131.18 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -70.16 102.56 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.9 t -74.54 -63.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -129.98 135.15 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -109.58 110.66 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.34 156.8 60.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.703 0.763 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.72 14.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 12.6 mtp-105 -123.37 29.58 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' CG ' HD11 ' A' ' 65' ' ' LEU . 6.3 tt0 -163.73 162.09 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -154.23 120.72 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -118.38 129.28 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.76 163.54 27.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.413 ' CG2' HG21 ' A' ' 19' ' ' VAL . 11.6 t -150.23 127.42 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.8 p90 -123.34 111.3 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.46 119.21 24.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.37 -141.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -118.62 84.39 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -152.95 154.86 31.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 147.41 62.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.24 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -75.46 96.04 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -158.93 127.07 2.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 105.98 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.44 -66.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.84 -176.4 33.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -143.9 125.56 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -145.16 166.62 24.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 m -114.13 -175.82 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -153.36 140.65 19.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -99.75 121.1 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 130.71 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.481 ' CE1' HH21 ' A' ' 78' ' ' ARG . 6.6 t-160 -132.06 110.67 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 49' ' ' LEU . 61.2 t -100.88 139.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' N ' HG12 ' A' ' 48' ' ' VAL . 6.2 mp -130.86 123.96 30.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.464 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 39.2 t30 -111.33 -177.56 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' ASN . 11.7 mp0 -35.82 -66.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.01 5.76 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -118.31 116.99 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.9 121.62 37.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -137.76 137.44 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -116.17 149.84 38.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -145.88 121.0 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.59 117.09 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -111.13 151.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.54 -34.2 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -93.26 152.02 40.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 3.19 2.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -118.52 119.29 34.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.02 130.67 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -111.76 109.7 19.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 65' ' ' LEU . 7.2 mt -95.92 142.37 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -131.83 -175.92 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.2 mttp 51.03 44.03 28.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.62 173.63 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.37 143.23 26.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.15 69.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.8 t70 47.33 54.2 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -140.81 133.67 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.2 m -76.27 128.62 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.464 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 67.9 m-85 -126.11 113.36 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mm -80.39 133.12 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 78' ' ' ARG . 61.5 t -131.31 140.25 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.481 HH21 ' CE1' ' A' ' 47' ' ' HIS . 25.3 ptt180 -146.96 121.08 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.557 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.2 p -114.79 155.77 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -150.46 145.31 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -78.84 145.8 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' C ' HG21 ' A' ' 83' ' ' THR . 1.5 mm? -96.33 139.5 32.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 82' ' ' LEU . 3.2 p -134.41 151.89 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.09 93.06 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.23 89.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.06 69.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.66 159.76 50.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.77 26.45 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -86.12 125.58 33.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -48.12 153.01 1.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.4 Cg_endo -69.7 136.99 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -40.52 121.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 37.8 m80 -103.98 107.32 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.37 107.03 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.2 m-85 -117.7 163.14 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -136.34 133.17 36.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 p -83.1 154.66 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -50.84 143.18 15.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 147.28 62.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.82 37.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' GLY . 26.9 t -122.36 -61.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' SER . . . -36.31 155.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 166.46 27.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.9 p -85.08 144.97 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -67.0 113.0 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -156.57 153.48 28.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -169.18 166.28 10.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.46 149.93 6.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -101.35 147.02 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -117.46 167.7 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.0 73.17 0.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.56 42.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.301 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -71.56 130.69 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -66.48 133.28 50.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -66.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -120.78 37.6 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.02 50.67 7.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 mt -124.92 58.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -77.2 113.3 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 94' ' ' HIS . 43.5 mt -64.96 99.66 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -90.43 136.82 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.56 87.1 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 HG22 ' CD ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -54.35 -67.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -126.47 139.39 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -112.75 98.89 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -107.34 154.63 40.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.19 34.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.0 -9.49 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -126.8 154.65 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 98' ' ' THR . 11.8 mt -160.09 118.99 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 18.2 tt0 -116.56 149.99 38.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 7.9 mt -139.38 153.5 47.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -141.04 127.29 19.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ2' HG22 ' A' ' 79' ' ' VAL . 32.0 p90 -124.52 110.63 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.81 130.73 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.81 -91.74 2.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 44.7 t -139.42 117.66 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -37.08 143.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.54 54.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -69.62 -48.97 58.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 p30 -105.19 150.32 38.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.02 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.13 -146.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.74 -156.03 32.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -102.9 150.08 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -123.59 165.55 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -130.39 179.35 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -144.73 134.71 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.88 120.95 40.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.524 HD23 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -107.56 131.78 53.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 4.2 t-160 -128.92 113.94 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.554 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 75.1 t -110.85 118.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 49' ' ' LEU . 5.2 mp -107.49 134.1 51.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -107.0 171.95 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 34.0 mt-30 -40.27 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -108.49 35.22 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -152.71 163.33 39.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' CG ' ' HE2' ' A' ' 47' ' ' HIS . 3.2 tt0 -152.91 126.49 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 3.0 p90 -148.0 140.72 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -130.35 148.15 52.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -143.25 128.08 18.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttp -77.98 126.5 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.45 137.24 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.1 -30.8 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 150.45 44.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.83 3.41 2.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -133.68 126.33 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.8 p -107.76 153.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.81 113.37 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.52 133.14 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -135.88 176.79 8.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 mttp 58.94 48.36 11.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 52.6 mt -104.49 169.36 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -100.27 139.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.66 67.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t0 54.55 46.26 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 m -134.17 142.31 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.1 m -87.55 129.41 35.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -126.77 123.31 37.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.4 mm -91.43 134.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 78' ' ' ARG . 44.5 t -136.3 141.45 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' HG11 ' A' ' 77' ' ' VAL . 19.4 ptt180 -147.42 121.71 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.565 HG22 ' CZ2' ' A' ' 30' ' ' TRP . 3.9 p -118.9 149.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -152.08 145.51 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.2 m -60.54 107.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.94 123.75 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 p -126.73 151.74 73.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.38 7.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.2 mt -125.42 92.58 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.75 68.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.84 52.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.77 162.82 53.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 151.23 68.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 8.9 m-85 -73.96 137.04 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -61.05 158.15 36.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 134.75 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.289 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.8 117.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.6 m80 -99.31 113.37 25.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -74.95 108.81 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 48.3 m-85 -117.93 159.64 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -138.97 138.4 37.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 26' ' ' LEU . 16.9 p -84.06 151.21 25.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.0 t -52.53 142.76 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.64 57.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.2 m -103.11 161.21 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.95 -75.18 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.435 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -3.41 11.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -76.12 122.3 24.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 m -39.0 127.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.548 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -45.13 140.41 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -42.16 -56.24 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.83 -126.98 24.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -116.27 88.66 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -131.17 158.32 40.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.01 82.83 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -43.5 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.73 97.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -173.61 139.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.32 -50.34 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.8 p -135.03 44.05 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.55 41.24 44.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 26.3 mt -120.05 68.09 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' LEU . 82.4 p -89.41 86.45 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' SER . 38.1 mt -36.09 103.22 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -96.91 136.48 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.0 tp -86.79 99.45 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.03 -62.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 130.92 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -115.73 96.69 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -105.58 155.65 37.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.93 30.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -129.45 15.82 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 33.9 tt0 -158.02 159.16 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 13.5 mt -151.04 132.32 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 51.0 tt0 -131.68 121.86 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -118.68 171.13 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 29' ' ' THR . 13.8 t -153.47 116.66 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 62' ' ' PRO . 34.4 p90 -118.6 108.36 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.24 -54.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 46.22 -104.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -114.39 140.69 48.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -123.13 140.42 33.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -100.04 77.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -167.98 143.74 3.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 128.34 15.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.47 177.06 23.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 -98.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -156.92 125.4 5.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.9 175.41 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.0 p -149.12 178.09 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.78 130.42 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -100.03 121.27 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.502 HD22 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -108.17 132.31 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.6 t-160 -131.58 108.1 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 46' ' ' LEU . 89.3 t -104.11 139.45 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -125.05 130.04 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.546 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -100.78 170.39 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 16.9 mm-40 -37.65 -68.32 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.99 37.1 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -153.05 164.73 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -157.45 128.28 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -145.93 151.49 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -126.81 145.93 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -146.03 113.4 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.417 ' HE3' ' C ' ' A' ' 59' ' ' VAL . 0.8 OUTLIER -71.15 130.42 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 ' C ' ' HE3' ' A' ' 58' ' ' MET . 27.7 m -120.87 151.55 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 ' CE ' ' A' ' 58' ' ' MET . 30.5 mt -93.33 -25.62 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.92 153.79 49.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.548 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.347 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -127.85 -177.08 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -164.0 136.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tm? -113.85 107.35 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.2 136.82 33.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -131.21 -175.59 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt 50.18 49.33 20.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.2 -175.22 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -118.91 143.51 33.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.91 51.67 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.433 HG21 ' CE2' ' A' ' 75' ' ' TYR . 54.9 m -137.26 137.49 39.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -83.64 119.83 25.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.433 ' CE2' HG21 ' A' ' 73' ' ' THR . 58.8 m-85 -118.91 113.98 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.0 mm -75.66 140.33 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.3 t -141.1 136.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -143.97 127.37 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.536 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 2.3 p -126.25 168.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.462 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -165.44 -176.45 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -110.97 85.3 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -42.84 147.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 p -126.91 151.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 mt -125.11 97.07 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.75 85.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.05 47.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' CA ' ' CZ ' ' A' ' 80' ' ' ARG . . . -96.54 175.39 31.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.21 25.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -95.95 129.96 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p -37.83 155.78 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.696 0.76 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.72 136.3 32.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -40.47 106.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.8 m80 -90.29 109.74 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 105.25 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 31.8 m-85 -120.48 146.42 46.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 97' ' ' ARG . 18.5 ttm105 -132.68 136.41 46.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -81.94 158.54 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 143.17 24.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.37 64.91 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.44 14.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.5 p -46.3 158.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.16 145.99 14.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.96 52.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -111.96 80.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.1 p -81.32 165.39 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -130.05 42.17 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -80.24 110.71 15.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.65 0.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -110.3 107.56 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -160.28 162.06 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.24 -127.24 10.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.92 126.48 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.289 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.2 80.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.4 p -100.13 81.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' SER . 15.3 tp -88.99 49.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.9 m 38.05 37.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.0 75.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 50.4 mt -147.6 150.45 34.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p -171.78 113.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' CE3' ' A' ' 30' ' ' TRP . 38.2 mt -72.28 145.19 48.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 2.4 ptpp? -140.05 156.71 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -92.65 110.66 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 t -104.85 -49.33 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 27' ' ' GLU . 6.3 ttmt -120.25 103.6 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -99.12 87.28 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.93 161.22 24.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.74 21.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.77 24.06 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -160.93 148.4 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -144.82 128.66 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 16.6 tt0 -124.24 126.28 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -127.66 165.35 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 t -150.31 138.21 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.519 ' CE3' HD22 ' A' ' 16' ' ' LEU . 30.7 p90 -127.81 107.86 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.11 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.85 88.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 p -130.45 102.96 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 54.4 mtt-85 -72.66 -60.64 1.93 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 53.5 Cg_endo -69.77 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.61 13.35 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.05 132.55 4.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.95 2.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.86 129.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.39 61.45 0.65 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -95.03 78.42 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -149.45 176.15 10.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -138.95 174.51 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -138.56 134.2 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 29.9 tt0 -100.34 120.94 40.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.42 134.76 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' CD2' HD12 ' A' ' 49' ' ' LEU . 5.0 t-160 -135.68 113.02 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 69.5 t -106.85 131.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 2.6 mp -122.28 152.98 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.538 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -143.86 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 14.7 mm-40 -34.16 -63.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -127.56 28.73 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' ASN . 19.3 mt-10 -140.27 113.97 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.18 113.98 19.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.541 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 12.1 p90 -137.28 145.14 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.21 141.31 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.21 118.75 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -73.34 129.69 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.59 144.87 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -90.03 -25.86 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -90.41 153.14 46.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.14 3.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.71 170.59 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.32 139.15 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -116.16 111.29 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.0 mt -98.1 126.33 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.3 p -120.34 -178.23 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 54.15 46.98 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.76 -177.94 3.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -117.79 143.81 33.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.73 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t0 54.98 54.53 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 75' ' ' TYR . 93.8 m -135.77 130.35 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.2 m -76.25 121.14 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CZ ' HG21 ' A' ' 73' ' ' THR . 51.9 m-85 -123.07 123.7 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.57 137.46 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 78' ' ' ARG . 39.5 t -133.94 150.28 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' N ' HG12 ' A' ' 77' ' ' VAL . 7.2 ptm180 -157.48 126.23 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 30' ' ' TRP . 4.3 p -121.97 147.65 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.493 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 12.4 ptt180 -144.29 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -83.15 106.54 15.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 10.0 mt -68.29 141.17 55.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 p -131.8 152.23 79.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.159 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.234 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.0 mt -125.02 92.91 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.24 84.63 0.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.37 67.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.44 169.39 54.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.13 17.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 m-85 -97.31 129.46 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -48.35 155.85 0.88 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.8 Cg_endo -69.79 136.3 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -42.21 112.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 47.4 m80 -94.37 107.7 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.9 109.19 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 42.0 m-85 -122.26 154.54 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -134.58 136.3 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.2 p -79.34 167.52 20.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -66.56 142.45 97.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.86 68.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 175.13 8.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.0 m -80.62 82.55 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 45.09 -157.72 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.62 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.8 t -118.14 119.76 35.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -100.81 41.62 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -73.03 0.93 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -150.85 158.18 43.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 110.9 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -119.8 109.28 15.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -84.96 42.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.55 138.35 6.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.79 127.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.37 96.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -78.65 100.27 6.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.5 141.95 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -57.04 11.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.24 47.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.2 mt -120.98 60.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m -95.96 104.99 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 11.3 mt -56.32 146.81 22.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 6.6 ptmt -137.13 156.89 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -94.18 95.47 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.31 -55.43 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -132.89 125.12 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -101.04 126.5 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -143.63 158.67 56.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.685 0.755 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' N ' ' HB2' ' A' ' 99' ' ' SER . 54.0 Cg_endo -69.79 -30.78 21.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -129.69 28.8 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -163.83 154.74 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -152.31 126.54 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -117.14 129.85 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -136.3 156.61 48.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 7.6 t -146.52 134.84 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CH2' HD21 ' A' ' 46' ' ' LEU . 41.9 p90 -127.72 112.7 15.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.65 -47.21 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.89 -176.92 17.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.7 t -62.67 -57.8 9.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.76 143.38 19.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 122.17 8.87 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -148.53 110.5 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -139.89 142.56 31.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -29.94 23.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.22 86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.69 93.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -44.04 161.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.04 179.85 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.562 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 18.4 m -99.04 174.83 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 43' ' ' SER . 15.7 m-85 -144.51 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -98.99 120.99 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -104.11 131.25 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 23.4 t-160 -133.03 110.46 10.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -102.53 132.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 47' ' ' HIS . 6.0 mp -123.33 114.18 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 13.0 t-20 -86.86 174.15 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.11 -45.44 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.04 6.9 9.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-10 -131.68 160.65 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.74 121.23 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p90 -148.18 145.54 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -127.5 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -141.65 125.9 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -81.01 128.47 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.27 158.3 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.05 -32.08 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -87.4 151.48 50.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 5.35 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -121.77 158.12 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.65 128.16 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -110.4 109.79 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.8 mt -96.82 138.8 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.5 p -130.69 175.64 8.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? 63.47 44.16 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.65 -176.55 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -120.15 142.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 143.36 50.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t0 63.04 41.17 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -128.03 139.66 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.4 m -88.92 125.98 35.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 74.9 m-85 -123.7 124.53 42.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.6 mm -90.76 132.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 45.9 t -129.65 143.86 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HA ' ' CD1' ' A' ' 16' ' ' LEU . 4.0 ptp180 -153.13 126.72 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.526 HG13 ' CD2' ' A' ' 30' ' ' TRP . 4.1 p -118.7 148.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -146.2 135.23 22.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -71.29 123.27 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.414 ' C ' HG22 ' A' ' 83' ' ' THR . 11.5 mt -80.89 139.73 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 82' ' ' LEU . 5.2 p -135.29 152.09 76.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.73 10.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.52 92.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.31 84.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.65 65.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.66 43.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 177.21 5.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.5 118.72 36.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -39.0 155.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.92 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -42.17 109.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.3 m80 -94.56 103.64 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -73.64 111.63 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 53.9 m-85 -117.49 155.8 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -129.4 131.52 46.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.4 p -81.96 172.19 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.429 ' HB2' ' N ' ' A' ' 23' ' ' PRO . 17.3 m -68.45 150.73 97.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.64 65.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -39.65 6.31 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.8 m -161.26 159.55 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -148.72 96.56 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -1.64 8.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -137.0 163.67 30.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.4 m -93.59 82.47 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.492 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -97.39 82.45 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -98.76 147.54 24.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.68 42.36 2.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -90.23 85.3 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -124.77 166.58 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.44 92.04 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.22 -61.63 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.733 0.301 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -96.57 39.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t -97.6 40.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.3 tp -66.76 165.5 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -81.94 42.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 86.19 -48.71 3.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 13' ' ' GLY . 8.1 mt -33.12 133.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.332 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -155.13 111.81 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.6 mt -71.51 125.45 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -127.18 130.68 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.4 tp -72.53 98.17 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 29' ' ' THR . 1.8 t -74.94 -51.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -133.55 133.16 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.22 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 157.45 38.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.44 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -113.72 26.68 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -161.58 154.15 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.7 mt -150.34 126.15 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -121.65 126.27 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.81 164.48 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 19' ' ' VAL . 14.1 t -153.73 119.76 5.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.494 ' CE2' HG22 ' A' ' 79' ' ' VAL . 35.0 p90 -119.19 104.06 10.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.76 162.38 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.82 51.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -93.1 -57.63 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -149.03 140.82 14.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.67 5.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -110.76 174.59 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 8.0 t30 -58.69 140.61 85.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 37' ' ' ASN . 53.1 Cg_endo -69.79 178.24 4.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.672 2.248 . . . . 0.0 112.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.62 -108.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.07 -164.83 12.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -56.62 122.17 11.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.25 154.69 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -120.43 177.94 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -137.26 134.24 35.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -99.36 120.74 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.13 130.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.556 ' CE1' HD13 ' A' ' 49' ' ' LEU . 22.0 t-160 -131.06 113.78 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.422 ' C ' HD12 ' A' ' 49' ' ' LEU . 84.5 t -107.82 132.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -122.67 158.74 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.528 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -148.1 169.54 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 66.8 mt-30 -34.09 -64.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.09 31.21 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.7 mm-40 -143.55 115.78 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -124.41 116.04 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -141.6 149.89 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -134.67 143.96 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.43 131.06 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -78.4 137.95 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.6 142.68 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.24 20.96 9.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -145.87 149.86 40.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.76 3.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -129.3 127.23 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 65' ' ' LEU . 12.3 p -119.25 141.15 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -116.02 109.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.16 137.26 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.41 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 82.0 p -136.08 169.05 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 71.84 24.99 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.95 169.66 11.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -101.43 142.9 25.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.32 68.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.2 47.21 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 74' ' ' THR . 25.3 m -134.49 144.27 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 73' ' ' THR . 88.9 m -94.08 123.05 37.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -119.86 122.85 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.21 135.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 78' ' ' ARG . 55.8 t -134.01 145.84 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.8 ptp85 -155.11 118.53 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 HG22 ' CE2' ' A' ' 30' ' ' TRP . 5.7 p -110.69 147.59 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 11.4 ptt180 -141.79 144.57 34.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.4 m -76.25 104.22 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 ' C ' HG21 ' A' ' 83' ' ' THR . 12.7 mt -69.92 138.01 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.424 HG21 ' C ' ' A' ' 82' ' ' LEU . 3.1 p -136.23 152.71 75.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.7 18.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.2 mt -125.26 92.46 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.37 82.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.41 59.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.17 163.26 42.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.44 14.4 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.398 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.1 126.52 36.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 p -45.92 154.8 0.55 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.689 0.756 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 54.1 Cg_endo -69.75 136.68 33.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' PRO . 4.1 p30 -35.91 120.29 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.4 m80 -108.38 103.63 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.58 108.84 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 24.7 m-85 -123.19 145.3 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -126.57 141.09 51.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.6 p -82.78 177.08 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -75.85 142.35 73.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.692 0.758 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.69 63.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.45 6.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -114.63 45.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.21 169.25 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 152.92 69.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.8 p -131.72 128.2 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.9 p -155.6 166.07 34.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -82.46 144.51 30.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -140.05 169.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.12 66.8 0.26 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -128.11 151.16 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -74.03 114.51 12.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.06 160.3 8.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.76 117.34 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -116.08 57.43 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -91.24 47.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tp -82.17 154.55 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.09 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.64 77.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.7 mt -153.49 106.73 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 m -118.53 106.83 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.95 106.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -100.68 130.54 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.68 98.66 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -65.24 -65.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' N ' HG11 ' A' ' 19' ' ' VAL . 42.2 tttp -148.9 112.05 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 7.8 ptpp? -84.31 155.43 22.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -149.54 161.45 31.68 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.724 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.89 25.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -130.71 19.82 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -162.72 163.64 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 21' ' ' LYS . 11.9 mt -155.4 124.63 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -133.11 163.91 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 t -152.43 128.66 10.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CZ2' HG22 ' A' ' 79' ' ' VAL . 35.0 p90 -128.83 113.75 15.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.48 124.45 36.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.61 93.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -113.39 68.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 mmm180 -53.35 -60.21 7.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 54.2 Cg_endo -69.75 -177.64 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.393 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -101.26 41.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -118.02 129.9 25.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -30.92 21.14 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.4 -119.12 3.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.21 -124.51 1.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.53 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -102.35 23.08 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.14 175.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 p -145.12 176.94 9.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.05 136.64 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.95 122.05 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -109.21 129.37 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -130.5 108.25 9.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 ' HB ' ' CE2' ' A' ' 55' ' ' TRP . 58.5 t -104.27 135.42 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 49' ' ' LEU . 2.2 mp -121.73 126.01 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.514 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -98.17 168.16 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 61.7 mt-30 -35.26 -74.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -110.99 34.07 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -149.61 164.06 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -156.11 130.72 8.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.453 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 15.8 p90 -145.02 149.12 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.17 142.03 51.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -144.47 135.75 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.4 ttp -89.39 133.0 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.58 138.76 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.52 -23.13 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.71 154.74 45.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.67 2.88 3.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -129.99 176.64 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -156.88 145.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.14 106.79 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.06 135.99 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 p -136.22 175.77 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 62.43 45.91 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.81 179.16 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -107.48 139.67 20.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.722 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.83 51.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.9 t70 57.77 48.94 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.5 m -137.54 141.31 41.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.9 m -80.23 132.23 35.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.51 121.54 27.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.419 ' C ' HG23 ' A' ' 77' ' ' VAL . 3.5 mm -85.23 137.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 78' ' ' ARG . 41.4 t -136.98 141.66 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' N ' HG11 ' A' ' 77' ' ' VAL . 13.9 ptp180 -151.42 124.13 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.542 HG22 ' CZ2' ' A' ' 30' ' ' TRP . 7.1 p -118.6 152.42 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.656 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 10.9 ptt180 -153.71 145.44 23.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -77.09 110.83 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' HG23 ' A' ' 83' ' ' THR . 11.9 mt -73.73 137.78 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 82' ' ' LEU . 1.6 p -133.84 152.53 78.87 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.563 0.697 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -35.47 12.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.97 92.96 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.65 83.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.45 67.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.66 164.59 48.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.83 59.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.0 m-85 -85.84 119.27 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' PHE . 16.7 p -37.59 153.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.705 0.764 . . . . 0.0 110.811 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' ASP . 53.5 Cg_endo -69.76 135.62 30.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' PRO . 1.5 p30 -37.58 99.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.7 m80 -90.53 104.91 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -67.68 136.84 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.9 m-85 -144.37 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -131.65 141.83 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.8 p -83.97 163.29 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -66.93 149.09 98.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.724 0.773 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 147.76 63.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.94 5.1 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.3 m -58.72 114.74 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -108.5 94.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.47 10.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 m 50.1 30.3 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -80.77 99.8 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -73.89 -51.79 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p 45.06 42.24 6.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 161.32 41.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -86.93 -62.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -92.43 148.21 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.37 138.42 5.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.26 118.71 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -168.2 163.78 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.6 p -81.84 -74.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 13' ' ' GLY . 1.2 pt? -140.72 -175.0 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.39 76.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 130.78 -121.91 3.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 13' ' ' GLY . 5.0 mt 25.28 49.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 10.0 m -99.47 79.82 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 58.3 mt -33.92 120.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -116.62 137.12 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.1 tp -93.35 85.8 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -68.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -112.44 134.54 53.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -111.46 89.81 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.3 153.34 38.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.64 37.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -126.94 -24.64 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -113.57 160.84 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 98' ' ' THR . 8.0 mt -165.52 112.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -108.84 150.7 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -138.89 149.74 45.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -143.13 131.05 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CE2' HG22 ' A' ' 79' ' ' VAL . 31.7 p90 -124.3 109.34 13.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.06 158.45 43.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.33 -161.85 26.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -64.59 159.18 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.64 145.86 38.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 9.06 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -127.64 145.93 56.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 177.21 5.83 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.75 -164.8 11.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.03 -82.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.499 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.19 53.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -73.07 153.97 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 m -123.17 177.41 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -141.81 135.75 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.94 122.64 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.82 128.42 54.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -126.49 117.57 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -108.63 133.15 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 49' ' ' LEU . 1.5 mp -128.42 124.92 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' GLN . 58.7 t30 -112.29 178.94 4.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.2 tt0 -33.72 -63.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 3.48 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -116.52 113.69 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -122.52 114.94 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -131.6 129.08 40.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.62 154.93 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -153.9 127.36 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 ttp -78.19 126.69 31.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.72 142.88 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.08 -28.35 22.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -94.53 153.19 40.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.459 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 6.89 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -126.07 150.19 48.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 p -137.05 136.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.19 112.62 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -110.22 128.32 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.9 p -131.26 -174.8 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 56.65 44.42 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 14.2 mt -101.79 174.12 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -105.97 141.92 23.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.6 48.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t0 58.27 53.28 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -138.24 143.27 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -89.42 120.15 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 66.7 m-85 -117.87 124.16 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.4 mm -90.89 138.31 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 23.5 t -141.99 137.71 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -142.04 133.26 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.488 HG22 ' CE2' ' A' ' 30' ' ' TRP . 8.5 p -123.57 146.94 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.474 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 15.2 ptt180 -149.09 142.18 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -72.03 107.36 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' C ' HG22 ' A' ' 83' ' ' THR . 10.2 mt -67.6 141.94 56.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.408 HG22 ' C ' ' A' ' 82' ' ' LEU . 3.9 p -133.11 152.02 78.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -40.23 5.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.6 mt -125.07 92.67 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.86 80.75 1.25 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.79 43.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.3 166.09 30.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.18 61.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.15 144.2 33.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -63.01 156.27 68.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 134.8 28.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.86 105.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 12.0 m80 -85.65 107.51 17.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.37 107.64 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 27.2 m-85 -120.32 144.17 47.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -129.2 136.8 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 26' ' ' LEU . 16.7 p -82.35 145.32 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.4 t -43.89 142.21 2.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.762 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.08 56.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t 56.02 43.96 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.05 -165.24 50.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -45.52 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.6 p -167.5 133.94 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.5 m -126.52 132.45 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -164.82 160.69 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -74.37 104.81 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.77 -160.21 33.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -100.51 89.36 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -74.55 137.44 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.98 133.62 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.99 129.78 51.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -125.54 145.48 50.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -106.81 83.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tp -102.89 118.03 35.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -48.59 164.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.85 93.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -130.25 60.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -89.45 94.9 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.93 120.49 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.29 135.41 54.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 26' ' ' LEU . 25.7 tp -84.51 97.26 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -42.22 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -113.71 113.11 24.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.99 87.65 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -115.93 156.74 46.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -21.03 33.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.61 27.16 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -168.65 152.03 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' A' ' 98' ' ' THR . 41.9 mt -156.39 126.86 6.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -113.13 142.63 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 77' ' ' VAL . 15.7 mt -131.23 153.3 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -141.58 125.06 16.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.581 ' CH2' HD21 ' A' ' 46' ' ' LEU . 32.2 p90 -125.83 106.67 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.9 148.18 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.69 177.14 24.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 m -53.4 118.01 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -101.08 134.31 20.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 165.37 31.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -54.21 -49.13 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -135.86 105.56 9.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.98 104.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.09 144.0 15.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.62 94.38 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.14 160.26 32.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.455 ' CB ' ' HE1' ' A' ' 58' ' ' MET . 69.7 m -117.85 176.32 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -137.61 133.03 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -98.67 120.81 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.581 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -108.54 132.27 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 56' ' ' HIS . 6.9 t-160 -133.93 110.93 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.556 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 58.8 t -105.56 133.35 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 49' ' ' LEU . 5.6 mp -124.66 162.08 24.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLU . 34.1 t30 -150.89 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -48.31 -60.16 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 23.44 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' ASN . 57.5 mt-10 -136.88 115.49 12.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.64 116.04 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.556 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 6.5 p90 -138.8 154.7 48.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -141.53 143.48 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -149.15 134.72 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE1' ' CB ' ' A' ' 43' ' ' SER . 3.0 ttp -82.07 122.44 27.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.37 142.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.18 18.31 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -138.14 150.64 67.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.72 4.08 2.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -133.23 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.32 135.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -112.38 109.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.2 140.07 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.2 p -133.57 177.84 7.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 59.54 47.66 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -107.4 168.71 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.57 141.58 22.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.69 33.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 62.11 54.95 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 m -141.48 135.85 30.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.1 m -75.99 125.85 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.94 121.73 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.5 mm -90.77 138.49 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 28' ' ' LEU . 58.3 t -139.98 148.95 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' N ' HG13 ' A' ' 77' ' ' VAL . 27.1 ptt180 -153.28 127.43 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.472 ' HB ' ' CD2' ' A' ' 46' ' ' LEU . 7.7 p -122.37 144.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 9.1 ptt180 -149.24 152.56 36.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -83.7 135.88 34.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' C ' HG21 ' A' ' 83' ' ' THR . 4.1 mm? -83.05 145.84 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.443 HG21 ' C ' ' A' ' 82' ' ' LEU . 4.1 p -135.31 152.15 76.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.9 mt -125.42 95.78 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 91.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.63 51.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.59 160.89 23.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 144.98 55.63 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.2 m-85 -71.95 137.12 47.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -55.89 153.82 15.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.45 25.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -38.2 110.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.0 m80 -91.79 107.1 18.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -67.82 109.44 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.3 m-85 -119.27 151.07 39.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -129.55 122.58 29.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.455 HG21 ' CD1' ' A' ' 26' ' ' LEU . 72.4 p -68.96 166.62 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 t -64.45 132.35 95.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.84 63.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.32 19.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.6 m -55.94 126.74 27.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -81.35 176.08 54.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 86.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 t -122.66 -64.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.8 t -43.26 -59.46 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -82.26 160.11 23.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -96.16 156.72 16.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.68 148.86 8.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -124.65 -54.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -99.74 128.68 45.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.73 -68.82 3.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.79 77.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.66 -178.44 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -40.23 133.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp -104.4 169.17 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -84.5 53.63 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.31 37.14 31.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.0 mt -130.91 53.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.356 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 p -92.82 112.33 24.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.33 146.51 53.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 5.9 ptmt -138.48 152.04 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -89.0 97.37 11.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -69.63 -59.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 19' ' ' VAL . 21.2 ttpt -136.14 126.14 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -94.17 123.11 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -139.35 157.33 70.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.18 5.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -119.2 28.94 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 39.4 tt0 -163.06 154.14 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD13 ' CG2' ' A' ' 98' ' ' THR . 19.0 mt -152.32 115.49 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -107.19 142.57 36.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.77 160.49 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 14.1 t -153.97 138.03 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.585 ' CH2' HD21 ' A' ' 46' ' ' LEU . 33.6 p90 -128.65 107.38 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.27 147.88 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.31 -117.81 0.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -40.44 152.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -159.59 143.65 10.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.3 8.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 37' ' ' ASN . 7.5 ptp85 -64.15 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 9.1 m-20 -125.82 143.54 45.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -29.65 23.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.28 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.77 -140.2 29.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.18 -172.69 34.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.83 113.52 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.23 173.43 6.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.457 ' CB ' ' HE2' ' A' ' 58' ' ' MET . 1.3 p -127.96 -176.66 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -145.71 136.2 24.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.8 120.6 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -111.69 130.18 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.465 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 8.3 t-160 -130.77 106.07 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.3 t -99.24 138.52 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -125.32 161.69 26.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.572 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 57.7 t30 -150.7 168.54 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -33.79 -64.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.07 26.03 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -140.92 115.47 9.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CG ' ' HE2' ' A' ' 47' ' ' HIS . 4.5 tt0 -122.32 127.59 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -147.57 140.98 25.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -127.85 152.67 47.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -150.61 135.08 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.457 ' HE2' ' CB ' ' A' ' 43' ' ' SER . 2.1 ttp -82.32 119.53 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.0 143.12 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.5 -24.7 21.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.78 152.86 45.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.546 ' O ' ' CD2' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.79 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -123.88 166.12 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -151.38 133.97 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.28 107.44 18.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.6 mt -93.73 129.61 40.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.0 p -130.99 173.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 mttp 61.43 42.79 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.84 -177.95 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.68 142.51 26.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 135.13 29.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 60.33 50.77 5.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.1 m -135.24 137.45 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.4 m -80.67 125.05 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 65.6 m-85 -123.06 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -90.68 140.2 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 78' ' ' ARG . 11.1 t -137.0 148.83 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' N ' HG11 ' A' ' 77' ' ' VAL . 5.4 ptp85 -157.56 125.98 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG11 ' CD2' ' A' ' 30' ' ' TRP . 8.1 p -119.08 147.68 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 7.3 ptm180 -134.75 172.24 13.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -112.59 106.27 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.76 145.64 23.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 p -152.53 153.68 30.82 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.564 0.697 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.15 17.19 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.64 2.227 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -125.29 93.89 4.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.33 100.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.31 57.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' O ' ' NE ' ' A' ' 80' ' ' ARG . . . -62.26 150.34 46.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.56 10.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CE1' ' HD2' ' A' ' 80' ' ' ARG . 8.2 m-85 -52.58 110.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -38.3 155.85 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.73 136.52 33.29 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -38.73 104.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 43.5 m80 -89.86 104.83 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 122.91 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 46.2 m-85 -133.7 145.9 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -124.16 133.52 53.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.447 ' CG2' HD13 ' A' ' 26' ' ' LEU . 19.5 p -80.24 165.65 22.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -64.32 142.32 98.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.59 63.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -12.93 33.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -102.95 -53.06 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -48.26 124.29 11.02 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.81 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.3 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.6 m -140.67 143.06 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.4 p -70.43 -49.66 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -107.31 -50.27 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 51.22 42.16 28.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.17 -145.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -102.16 114.23 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -139.48 121.78 15.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.29 55.44 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.17 79.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -113.5 94.0 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -101.96 40.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.3 tp -52.98 141.23 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -77.33 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.31 49.24 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -122.76 64.74 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 p -87.91 104.57 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.23 122.14 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.72 140.99 45.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 58.0 tp -94.97 92.65 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 HG21 ' CG2' ' A' ' 29' ' ' THR . 1.6 t -67.4 -57.74 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -151.19 114.79 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 21.3 pttt -94.75 141.18 28.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -130.69 161.32 61.78 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.83 33.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -130.87 -4.42 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -138.93 169.17 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' N ' ' OE1' ' A' ' 25' ' ' GLN . 12.2 mt -156.8 116.52 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -108.26 113.78 27.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.07 162.0 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.448 ' CG2' HG21 ' A' ' 19' ' ' VAL . 13.9 t -153.86 125.78 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.567 ' CH2' HD21 ' A' ' 46' ' ' LEU . 19.2 p90 -112.79 105.98 14.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.46 48.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.78 73.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 m -158.42 145.83 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' NH2' ' NH1' ' A' ' 36' ' ' ARG . 11.6 ttt180 -67.48 140.61 94.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 34' ' ' ARG . 53.9 Cg_endo -69.83 1.28 4.62 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' NH1' ' NH2' ' A' ' 34' ' ' ARG . 19.7 mmm-85 -65.39 86.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -159.53 117.29 1.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.94 4.9 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.39 -91.33 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 54.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -130.0 92.51 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -143.55 159.47 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.7 m -117.03 175.32 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.09 135.82 32.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -99.68 123.16 43.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -108.91 135.26 50.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.557 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 5.7 t-160 -137.63 113.19 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.99 135.39 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.65 119.17 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -91.73 170.51 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 19.3 mm-40 -42.8 -70.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.06 26.17 10.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ASN . 11.1 mm-40 -145.32 159.97 42.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.62 129.24 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -148.97 140.11 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -126.09 159.56 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -157.48 123.27 4.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -73.81 130.62 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.38 156.87 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.3 mt -101.56 -33.43 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.88 154.38 58.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 3.53 2.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.26 147.73 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.29 135.43 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.92 103.59 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mt -98.3 121.91 40.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 p -116.53 -178.41 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 mttt 55.76 46.57 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -106.26 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -119.5 142.27 32.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.54 65.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 45.6 52.06 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 m -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 m -84.21 119.36 24.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -121.44 136.91 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.45 125.69 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 78' ' ' ARG . 36.5 t -121.17 143.37 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG11 ' A' ' 77' ' ' VAL . 7.1 ptp180 -148.61 123.6 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.493 HG22 ' CE2' ' A' ' 30' ' ' TRP . 9.8 p -124.56 143.19 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.1 144.81 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.5 m -72.2 125.53 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.43 ' C ' HG21 ' A' ' 83' ' ' THR . 11.6 mt -87.3 138.26 31.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.43 HG21 ' C ' ' A' ' 82' ' ' LEU . 8.6 p -135.79 152.12 75.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -34.62 14.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.5 mt -125.64 92.28 3.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.08 75.43 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.13 32.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.9 158.31 8.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -86.67 121.87 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -43.67 155.37 0.32 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.741 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.5 Cg_endo -69.74 134.88 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -40.17 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 58.8 m80 -95.21 109.08 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.91 110.53 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 57.2 m-85 -117.19 159.0 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -137.98 128.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -73.92 175.06 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -75.76 139.72 70.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 148.24 64.58 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.1 p -91.12 159.48 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.25 91.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -68.44 -54.17 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.4 t -78.97 120.11 23.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -147.59 143.33 27.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -83.64 150.46 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.3 61.73 1.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -108.38 82.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -158.72 169.04 25.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.88 3.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.05 91.82 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -85.71 145.83 27.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t -114.22 155.59 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tp -127.74 131.27 49.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -57.46 -54.46 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.69 53.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 58.2 mt -127.57 58.06 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 m -86.06 99.49 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 25.1 mt -51.39 112.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -100.56 133.05 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.0 tp -84.16 92.59 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 27' ' ' GLU . 13.4 m -61.03 -55.86 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 138.0 37.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -109.58 90.45 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -104.48 158.29 32.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -32.32 18.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -126.22 29.37 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -165.8 143.74 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD1' ' CG2' ' A' ' 98' ' ' THR . 33.4 mt -157.69 115.47 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 57.2 tt0 -109.71 158.38 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 10.9 mt -144.99 149.12 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.46 HG23 ' CG1' ' A' ' 19' ' ' VAL . 3.2 t -139.02 119.11 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.508 ' CE2' HG23 ' A' ' 79' ' ' VAL . 31.0 p90 -116.11 103.98 11.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.01 131.63 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.57 106.83 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -167.42 110.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.566 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -81.03 -66.64 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 110.814 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 34' ' ' ARG . 53.7 Cg_endo -69.78 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.256 . . . . 0.0 112.354 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 37' ' ' ASN . 6.9 tmm_? -171.7 150.85 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 2.0 p-10 -95.82 142.73 24.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.25 63.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.32 167.42 12.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 137.95 3.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -50.64 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -133.19 151.62 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 m -125.65 174.82 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -135.96 135.91 39.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -98.78 120.9 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.82 130.64 55.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 13.7 t-160 -134.25 114.41 13.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 49' ' ' LEU . 62.0 t -105.92 137.61 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' N ' HG11 ' A' ' 48' ' ' VAL . 5.2 mp -125.47 148.48 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 43.8 t30 -138.51 173.65 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.0 tt0 -33.89 -67.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -129.08 28.15 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -139.58 114.09 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.44 125.86 47.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.441 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 1.4 p90 -148.46 135.24 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -122.56 147.21 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -146.65 127.85 14.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.8 125.5 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -114.33 144.74 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -87.19 -30.25 21.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -87.88 152.94 51.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -127.78 156.23 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.34 146.55 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.2 tm? -122.42 111.72 17.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.13 133.6 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -129.71 -179.79 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 56.77 45.01 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.89 -179.08 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.11 139.31 23.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.968 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.06 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 59.73 49.97 7.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.8 m -137.13 131.2 32.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.8 m -72.75 128.96 37.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 40.3 m-85 -127.89 126.63 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.79 127.44 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.58 138.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -136.52 145.87 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.508 HG23 ' CE2' ' A' ' 30' ' ' TRP . 4.3 p -146.72 149.62 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.461 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -147.81 175.39 10.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.438 ' O ' ' NH2' ' A' ' 80' ' ' ARG . 27.4 m -109.25 97.19 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' C ' HG21 ' A' ' 83' ' ' THR . 2.2 mm? -46.1 153.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.401 HG21 ' C ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -133.9 154.63 80.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -39.15 6.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -125.51 106.4 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.7 94.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.22 59.48 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.34 176.79 51.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -110.91 129.98 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 p -40.62 155.9 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 135.93 31.53 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -43.09 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.4 m80 -82.11 107.68 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.18 106.33 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 41.8 m-85 -117.8 154.16 32.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -135.4 133.93 39.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.501 ' CG2' ' CD1' ' A' ' 26' ' ' LEU . 23.0 p -81.75 159.23 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -55.15 143.8 52.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.02 61.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -179.18 2.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.0 t -62.54 120.15 10.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.12 119.53 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 164.25 35.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.7 t -111.32 97.57 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.0 t -53.08 -51.49 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -124.76 117.56 24.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -168.88 171.26 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.03 87.05 1.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -150.91 158.86 44.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -126.95 -45.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.18 157.9 8.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.82 115.65 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -86.36 177.53 7.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.1 t -43.97 136.63 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -173.71 135.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -56.41 -54.1 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.14 63.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD23 ' CD1' ' A' ' 30' ' ' TRP . 70.6 mt -137.1 159.61 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -165.08 114.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD22 ' CE3' ' A' ' 30' ' ' TRP . 15.5 mt -76.82 115.45 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -108.77 135.15 50.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.08 90.42 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 27' ' ' GLU . 11.9 m -63.05 -55.35 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -124.19 137.44 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -113.19 83.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.55 155.6 39.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.21 28.93 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.756 2.304 . . . . 0.0 112.32 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -130.34 28.7 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -167.41 138.69 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.499 ' CD1' ' CG2' ' A' ' 98' ' ' THR . 48.1 mt -156.38 117.16 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 39.6 tt0 -112.01 158.06 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -138.04 149.94 46.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -138.87 117.89 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.649 ' CZ2' ' CG2' ' A' ' 79' ' ' VAL . 39.6 p90 -121.55 106.81 11.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.38 128.2 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.97 113.76 4.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -69.41 98.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -155.41 151.47 22.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.84 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -4.71 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -156.39 118.66 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -114.74 93.42 33.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.28 165.64 23.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.4 -79.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -82.44 38.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt -88.94 165.11 14.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -138.19 175.45 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 81' ' ' THR . 7.9 m-85 -145.83 139.94 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -101.96 121.17 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -106.11 136.04 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -135.66 117.65 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.509 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 88.0 t -114.61 129.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.7 mp -117.01 123.13 46.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -96.2 170.17 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 21.5 mt-30 -41.23 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.3 35.3 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -152.97 163.03 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' CG ' ' HE2' ' A' ' 47' ' ' HIS . 5.5 tt0 -157.06 114.26 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.509 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 4.3 p90 -133.7 143.91 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -130.17 142.85 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -145.66 130.94 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.3 ttp -79.92 125.2 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.59 148.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.52 -22.55 22.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -111.56 153.5 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.74 1.58 4.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.45 117.75 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 135.55 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -108.66 107.83 18.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.29 127.01 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -129.27 -178.23 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 mttt 57.24 41.32 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 mt -96.04 -176.19 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' N ' ' OH ' ' A' ' 75' ' ' TYR . 70.1 mt-30 -113.98 138.06 22.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.33 42.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 25.9 t70 60.08 49.75 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 74' ' ' THR . 32.7 m -141.81 143.0 33.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 73' ' ' THR . 29.0 m -86.12 125.82 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' N ' ' A' ' 70' ' ' GLN . 65.5 m-85 -119.21 115.92 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mm -82.37 133.45 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.1 t -137.81 148.88 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -151.75 128.14 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.649 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 9.2 p -125.31 142.92 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -140.32 144.3 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.46 HG21 ' CE2' ' A' ' 44' ' ' TYR . 3.1 m -82.7 99.44 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' C ' HG21 ' A' ' 83' ' ' THR . 5.2 mp -66.73 165.97 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -147.57 161.09 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 53.7 Cg_endo -69.74 -23.33 31.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -126.02 91.44 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.84 100.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.91 41.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.0 173.76 27.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -111.02 130.4 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -46.4 155.76 0.54 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.0 Cg_endo -69.8 136.63 33.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -38.87 115.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 42.8 m80 -101.73 107.99 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.16 104.73 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.4 m-85 -112.13 144.2 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -123.37 140.66 52.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.499 ' CG2' ' CD1' ' A' ' 26' ' ' LEU . 22.2 p -94.71 144.25 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -46.82 142.54 4.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.09 68.15 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 158.63 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -64.28 159.4 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.97 132.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.61 9.29 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.3 t -70.24 157.84 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.1 p -131.19 102.56 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -89.51 -56.53 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -81.68 171.88 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.77 -52.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -113.26 168.0 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.16 172.32 35.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.46 156.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -84.03 41.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -40.1 -53.25 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.59 146.78 2.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' GLY . 3.8 t -89.56 73.63 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 37.88 69.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.11 60.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -89.29 92.63 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 94' ' ' HIS . 8.6 mt -46.2 163.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -144.27 156.55 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 57.3 tp -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG22 ' CG ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.1 -72.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -135.0 99.46 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -72.36 138.22 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.66 153.98 81.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -14.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -131.57 -7.89 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -138.88 168.2 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 9.9 mt -161.97 113.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' CG ' HG22 ' A' ' 19' ' ' VAL . 30.5 tt0 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mt -149.27 155.31 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -150.53 129.21 12.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CE3' HD22 ' A' ' 16' ' ' LEU . 24.5 p90 -119.8 105.1 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.89 -45.38 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.11 -164.05 42.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -125.87 81.22 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -166.75 129.76 1.46 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 108.08 2.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -101.65 158.31 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -62.46 151.75 82.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 1.96 4.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.02 -163.54 11.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.29 -46.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.1 m120 52.41 42.64 31.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.65 148.88 21.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 m -102.64 172.2 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -142.45 133.14 25.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -99.24 120.74 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.502 HD21 ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -106.41 134.64 49.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.5 t-160 -136.12 119.4 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.562 HG12 ' CZ2' ' A' ' 55' ' ' TRP . 99.1 t -114.02 131.75 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.8 mp -121.29 153.72 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -141.53 170.55 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.551 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 10.3 mm100 -35.04 -63.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -129.74 33.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ASN . 66.7 mt-10 -145.9 117.43 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.11 122.2 37.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.562 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 7.0 p90 -146.19 139.19 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -121.78 149.07 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -145.94 119.53 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -75.87 132.31 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.6 143.1 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 mt -88.17 -18.93 27.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.87 153.64 39.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -123.71 131.91 53.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.486 HG21 ' N ' ' A' ' 65' ' ' LEU . 9.2 p -125.88 142.07 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -114.96 110.95 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.9 mt -97.54 128.79 44.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.9 p -125.05 175.02 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt 60.16 42.9 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 32.1 mt -102.27 169.64 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -107.57 139.14 20.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 47.76 42.6 15.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.8 m -135.03 141.37 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 m -91.28 113.04 25.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.52 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 78.6 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.411 ' C ' HG21 ' A' ' 77' ' ' VAL . 19.9 mm -67.84 142.2 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 96' ' ' PHE . 15.0 t -133.81 148.01 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -161.4 125.47 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.497 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.6 p -124.34 147.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -145.02 143.2 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -77.01 116.66 17.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' C ' HG22 ' A' ' 83' ' ' THR . 11.7 mt -75.0 138.98 42.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.418 HG22 ' C ' ' A' ' 82' ' ' LEU . 6.5 p -133.69 152.2 78.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.0 8.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.41 92.3 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.8 80.3 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 142.19 46.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.29 38.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.49 38.08 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' SER . 7.7 m-85 -83.66 119.74 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' PHE . 4.5 p -37.29 156.35 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.08 18.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.04 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' HD12 ' A' ' 16' ' ' LEU . 86.9 m-70 -81.93 -176.93 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.1 114.99 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.494 ' CD2' HG22 ' A' ' 77' ' ' VAL . 95.5 m-85 -127.74 139.94 52.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -131.13 148.5 52.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.7 p -94.2 149.99 20.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -51.98 151.75 6.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.79 63.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.34 24.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.8 t 61.99 41.59 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.23 -95.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 171.35 14.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.0 t -49.97 109.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.7 t -79.32 -56.64 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -151.63 111.58 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -101.6 129.93 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.94 75.57 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -38.52 -53.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -106.15 170.1 8.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.02 53.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.04 88.93 2.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -115.54 153.23 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -112.37 82.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' SER . 22.3 tp -112.44 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' LEU . 25.7 t -35.23 -53.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.77 82.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 63.0 mt -144.67 135.19 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -144.5 108.92 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 77' ' ' VAL . 27.4 mt -66.85 112.02 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -108.3 137.59 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 tp -88.31 107.98 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -44.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -133.64 129.63 37.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -114.77 87.81 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -105.82 157.54 34.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.87 32.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -134.89 28.42 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' CA ' HD12 ' A' ' 69' ' ' LEU . 41.8 tt0 -168.5 149.17 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.9 mt -156.6 126.37 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -116.91 142.44 46.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 77' ' ' VAL . 5.5 mt -133.26 154.14 50.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -140.14 127.02 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 79' ' ' VAL . 31.2 p90 -126.93 104.15 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.1 107.39 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.88 -99.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -125.52 141.55 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 28.2 ttp180 -64.59 142.53 98.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 34' ' ' ARG . 54.1 Cg_endo -69.76 162.54 41.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.748 2.299 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -78.02 -52.25 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.94 120.29 58.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -178.14 2.2 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 98.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.72 83.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -67.94 129.99 41.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -122.17 162.2 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.423 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 7.1 p -117.17 -176.2 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 81' ' ' THR . 10.1 m-85 -157.22 139.0 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.2 123.14 42.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.14 132.85 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.423 ' HB3' ' CG ' ' A' ' 78' ' ' ARG . 21.5 t-160 -133.03 112.95 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 49' ' ' LEU . 82.5 t -107.97 137.15 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -124.97 147.61 48.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 75' ' ' TYR . 29.1 t30 -139.86 175.08 9.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -41.37 -61.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.91 20.77 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' ASN . 21.0 mt-10 -137.69 114.7 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -134.14 113.01 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -132.4 159.29 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -132.59 133.65 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.08 129.04 27.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -82.06 128.25 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.17 138.15 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.9 mt -79.7 -27.94 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -93.96 148.97 36.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.462 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.75 3.03 3.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -127.43 127.46 44.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.0 p -116.31 144.01 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.37 107.99 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -98.44 138.18 36.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.418 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 47.4 p -135.84 172.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HG2' ' C ' ' A' ' 67' ' ' THR . 7.6 mmtm 71.55 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 HD12 ' CA ' ' A' ' 25' ' ' GLN . 9.9 mt -81.0 173.39 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.85 142.19 24.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 148.11 63.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 12.4 t70 50.63 50.16 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.9 m -138.54 129.68 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -72.78 121.97 20.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 50' ' ' ASN . 61.1 m-85 -118.98 119.18 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' C ' HG21 ' A' ' 77' ' ' VAL . 27.7 mm -89.55 133.35 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.473 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 27.6 t -136.05 137.37 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 47' ' ' HIS . 9.9 ptp180 -138.12 121.11 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 30' ' ' TRP . 5.1 p -116.09 146.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -148.39 136.54 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.543 HG22 ' CE2' ' A' ' 44' ' ' TYR . 6.7 m -77.23 128.39 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 HD12 ' CD ' ' A' ' 80' ' ' ARG . 6.2 mp -88.42 162.33 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -144.62 161.65 42.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.688 . . . . 0.0 111.16 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 54.2 Cg_endo -69.66 -24.57 30.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.87 91.24 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.02 97.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.75 43.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.17 166.14 6.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.38 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.48 138.44 36.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -60.11 155.23 46.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.75 33.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 119.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 22.5 m80 -102.61 107.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -68.03 105.92 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 38.6 m-85 -116.49 149.55 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -127.76 132.99 49.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.0 p -81.02 169.06 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -64.52 142.82 98.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.34 30.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -26.53 27.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.5 p -149.74 133.8 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.7 135.79 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 127.0 13.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 0.0 112.315 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.1 m -73.16 166.93 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.3 m -98.09 -46.23 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -131.98 169.42 16.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -64.06 112.01 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 -44.75 0.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -118.98 41.95 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -52.19 -54.82 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.78 -141.7 12.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.88 101.49 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -158.35 108.21 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -124.2 175.93 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' SER . 15.9 tp -89.16 108.5 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' LEU . 15.0 t -34.53 -42.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 159.36 -42.55 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD21 ' CD1' ' A' ' 30' ' ' TRP . 7.4 mt 32.41 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -95.4 101.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 94' ' ' HIS . 14.6 mt -58.0 107.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -106.71 139.4 41.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.0 tp -85.84 95.06 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -48.64 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -122.39 116.99 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.75 88.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -111.31 151.37 43.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.749 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -23.03 31.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -124.58 8.25 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -150.7 156.15 40.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -160.77 116.38 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -106.57 147.07 29.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt -136.54 134.59 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.0 t -130.6 114.94 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' O ' ' CD1' ' A' ' 30' ' ' TRP . 37.2 p90 -116.97 104.4 11.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.91 165.26 35.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.26 -61.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.5 p -117.52 144.16 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -109.04 121.18 43.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.636 0.732 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 132.26 22.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.9 39.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -165.96 120.48 0.91 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.04 61.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.72 121.78 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 123.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -108.63 143.47 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -141.28 151.39 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -118.72 174.19 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -132.14 139.91 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -100.8 121.27 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -107.38 134.26 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.7 t-160 -133.74 112.2 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.9 t -106.49 136.89 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 49' ' ' LEU . 2.9 mp -122.32 124.63 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -95.91 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 9.8 mm100 -40.79 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.03 32.64 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -151.35 163.06 39.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -152.92 126.95 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -140.91 150.13 42.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -128.68 150.03 50.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.34 128.62 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -81.61 131.99 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -118.98 140.89 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.19 19.65 10.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.19 153.67 53.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.68 2.85 3.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -129.64 130.19 45.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.49 136.03 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.26 108.75 20.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.5 124.33 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -121.28 179.08 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mttt 59.4 45.33 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.09 174.89 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' NE2' ' HD2' ' A' ' 71' ' ' PRO . 10.4 mm100 -116.24 142.04 28.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.46 ' HD2' ' NE2' ' A' ' 70' ' ' GLN . 54.2 Cg_endo -69.74 141.97 46.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 11.6 t0 59.48 50.89 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.4 m -141.58 138.66 32.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.3 m -83.79 127.53 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -122.5 111.93 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.5 mm -84.99 138.77 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 78' ' ' ARG . 42.0 t -139.79 141.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' N ' HG13 ' A' ' 77' ' ' VAL . 8.7 ptp85 -143.96 121.5 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 46' ' ' LEU . 8.8 p -115.58 142.79 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -147.29 140.66 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -69.62 125.95 28.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.417 ' C ' HG22 ' A' ' 83' ' ' THR . 10.0 mt -83.21 141.96 31.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 82' ' ' LEU . 2.6 p -132.9 153.33 80.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 85' ' ' LEU . 53.3 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -125.32 92.73 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.18 80.13 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.99 64.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 80' ' ' ARG . . . -68.76 164.32 49.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -82.42 127.57 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -46.61 156.08 0.54 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.761 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.93 29.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -39.33 109.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -91.16 101.81 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 112.35 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.0 m-85 -121.68 151.77 40.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.96 126.28 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.7 p -79.11 151.01 31.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -53.86 153.29 8.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.38 63.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 157.75 59.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 t -64.95 -59.52 4.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.55 102.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.46 30.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -166.34 157.19 12.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 m -76.66 -56.77 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 28.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 78' ' ' ARG . 51.2 mt -37.41 139.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -131.81 143.26 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 28.2 tp -76.0 102.99 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 20' ' ' LYS . 2.0 t -73.47 -55.43 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 19' ' ' VAL . 36.8 ttpt -141.05 133.91 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -101.17 111.14 23.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -128.13 157.01 75.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -27.28 26.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -133.66 29.61 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -164.23 150.88 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' HG22 ' A' ' 98' ' ' THR . 11.4 mt -154.19 117.91 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 65' ' ' LEU . 21.2 tt0 -109.85 145.15 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -142.48 154.36 44.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -145.85 135.43 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.727 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.5 p90 -128.88 113.87 15.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 m -140.69 177.21 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -148.1 134.78 19.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HB2' HD21 ' A' ' 82' ' ' LEU . 11.5 tp10 -99.02 121.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -103.38 135.11 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.475 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.2 t-160 -136.86 113.43 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.739 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 67.2 t -106.31 138.49 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.4 mp -129.33 141.34 51.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.07 176.12 7.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -43.99 -58.62 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.75 29.79 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -146.13 114.64 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 126.56 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.739 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 6.0 p90 -144.6 148.23 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -129.34 154.05 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -156.05 114.87 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -73.01 125.3 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.34 143.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -95.49 17.06 15.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.13 152.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.739 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 1.63 4.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -118.81 160.74 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -157.62 133.92 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -115.79 111.57 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.69 132.1 46.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -126.74 176.76 7.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt 61.08 41.96 13.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.59 165.31 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -95.75 141.34 23.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.68 51.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 13.8 t70 56.3 54.08 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 m -138.74 135.88 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.1 m -82.88 116.41 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -112.75 119.28 37.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.42 133.99 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 28' ' ' LEU . 20.5 t -130.21 144.44 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.3 ptm180 -152.39 121.32 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.727 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 11.4 p -116.94 144.52 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.447 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -140.63 134.27 30.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -69.44 132.16 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -85.69 142.37 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 p -141.26 152.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.68 12.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.8 mt -125.15 92.82 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.68 85.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.488 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.15 47.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.4 157.41 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.33 21.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 14.1 m-85 -87.29 115.47 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 p -40.49 155.18 0.19 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.63 33.42 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.87 109.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -90.62 104.82 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.24 107.38 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 23.7 m-85 -121.23 145.16 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -122.62 133.53 54.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 26' ' ' LEU . 74.8 p -77.19 164.74 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -65.18 143.73 98.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 148.43 64.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' A' ' 78' ' ' ARG . 18.2 mt -42.88 152.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.748 ' HD2' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.66 140.29 31.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.39 98.78 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 t -73.35 -57.78 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.67 134.98 48.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -106.77 99.2 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -117.2 155.17 50.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -121.06 29.28 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -165.98 155.68 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 98' ' ' THR . 36.2 mt -155.87 121.18 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.8 tm-20 -116.72 133.7 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.7 mt -135.35 162.8 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 19' ' ' VAL . 11.1 t -151.0 137.14 18.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 22.9 p90 -126.01 110.01 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -115.19 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -148.71 136.66 20.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.04 120.97 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -107.05 134.11 50.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.587 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.2 t60 -133.68 116.96 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 77' ' ' VAL . 98.5 t -111.34 133.01 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.732 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -120.86 154.71 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 33.0 t30 -142.59 173.94 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -44.26 -54.93 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.28 21.44 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 57.4 mt-10 -141.54 114.49 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -128.46 122.04 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -135.81 158.11 45.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.14 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -149.94 122.51 8.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 ttp -77.69 120.53 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -109.34 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -97.89 21.37 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -148.59 154.43 41.07 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.667 0.746 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -119.35 142.07 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.76 133.03 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 65' ' ' LEU . 2.0 tm? -113.94 112.13 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 69' ' ' LEU . 21.6 mt -98.76 123.54 43.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt 60.67 40.97 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 66' ' ' LEU . 25.7 mt -100.69 -175.9 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -119.43 144.11 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.56 69.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 46.6 46.72 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.4 m -127.54 134.29 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.9 m -79.79 120.68 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 56.0 m-85 -124.69 120.08 30.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.41 133.92 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 46' ' ' LEU . 51.5 t -132.43 143.2 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.8 ptp180 -153.68 122.9 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.3 p -115.3 144.55 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -141.19 132.85 27.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 m -70.01 125.75 27.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.73 138.99 33.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 p -133.59 152.09 78.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -36.73 10.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.09 92.87 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.56 84.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 151.44 68.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.55 54.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -91.63 120.51 32.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 p -40.12 155.01 0.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.2 Cg_endo -69.78 136.6 33.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -38.06 116.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 26.9 m80 -102.71 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.79 105.1 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.8 m-85 -112.74 146.01 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -127.96 126.44 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.72 HG22 HD11 ' A' ' 26' ' ' LEU . 64.8 p -71.16 164.43 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -60.46 142.89 90.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.716 0.769 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.08 55.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 28' ' ' LEU . 41.9 mt -74.63 102.66 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -97.69 131.59 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 26' ' ' LEU . 17.9 tp -82.78 109.2 16.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -45.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -109.14 104.94 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' CG ' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -99.72 79.28 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -110.99 157.67 38.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.16 20.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -124.87 28.1 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -167.41 148.24 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 20' ' ' LYS . 29.5 mt -156.99 130.18 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' HD22 ' A' ' 65' ' ' LEU . 61.7 tt0 -121.03 138.17 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 16' ' ' LEU . 26.2 mt -122.36 159.88 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -149.35 124.13 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 79' ' ' VAL . 35.3 p90 -126.37 103.94 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p -136.99 177.44 7.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -138.95 134.68 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -99.89 121.01 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.64 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -104.23 135.82 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.603 ' N ' HD13 ' A' ' 46' ' ' LEU . 16.1 t-160 -133.76 112.55 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 77' ' ' VAL . 90.6 t -109.11 131.79 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mp -125.43 155.44 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLU . 45.7 t30 -141.66 177.16 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -44.41 -58.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.3 30.01 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' ASN . 37.9 mt-10 -146.97 115.39 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -126.74 121.15 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.4 p90 -142.91 137.74 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 154.77 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -157.79 124.47 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -78.44 128.4 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.07 145.41 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.8 mt -85.04 -29.95 24.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 150.47 36.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.754 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.75 2.65 3.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.733 2.288 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -124.71 134.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.73 140.16 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -111.55 112.29 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.82 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.624 HG23 HD12 ' A' ' 65' ' ' LEU . 72.4 p -117.58 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt 62.65 41.29 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -101.32 162.46 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -92.62 142.1 25.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.11 56.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t70 54.64 51.52 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.8 m -137.13 129.82 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -73.51 133.43 43.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -131.66 121.69 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.7 mm -91.11 138.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 48' ' ' VAL . 63.0 t -142.22 144.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.5 ptm180 -148.96 118.06 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -108.23 145.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.487 ' NH1' ' CE2' ' A' ' 90' ' ' PHE . 20.7 ptt180 -140.63 142.9 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -76.76 97.57 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.09 139.0 58.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 p -134.2 152.14 77.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.727 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.57 10.53 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 mt -125.19 92.62 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.0 84.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.45 65.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.24 161.09 54.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.82 51.94 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.487 ' CE2' ' NH1' ' A' ' 80' ' ' ARG . 9.6 m-85 -63.32 143.83 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -64.15 155.64 78.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 134.59 28.48 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.24 119.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.0 m80 -105.92 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.64 111.22 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.7 m-85 -115.9 153.54 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp-105 -132.05 128.35 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.621 ' CG2' HD11 ' A' ' 26' ' ' LEU . 17.3 p -81.12 151.02 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.0 t -50.08 144.06 11.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.75 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.06 46.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 78' ' ' ARG . 9.7 mt -76.22 134.14 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HE3' ' CG2' ' A' ' 29' ' ' THR . 4.7 pttp -129.97 147.27 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -78.91 102.32 8.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.693 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -80.38 -56.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' N ' HG12 ' A' ' 19' ' ' VAL . 33.5 tptt -128.13 118.92 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.27 103.55 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -124.22 159.05 58.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.473 ' N ' ' HB3' ' A' ' 99' ' ' SER . 53.8 Cg_endo -69.75 -29.35 24.08 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -129.31 30.66 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -167.87 148.22 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 98' ' ' THR . 16.4 mt -147.92 115.09 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' HD23 ' A' ' 28' ' ' LEU . 46.9 tt0 -106.24 137.1 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.705 HD11 HG21 ' A' ' 77' ' ' VAL . 4.4 mt -139.05 152.25 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.693 HG22 HG23 ' A' ' 19' ' ' VAL . 9.9 t -147.61 138.33 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.51 113.55 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 p -124.94 175.55 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -141.32 133.09 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.852 ' HB2' HD21 ' A' ' 82' ' ' LEU . 14.6 tt0 -99.6 121.05 40.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -105.35 129.43 53.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 19.3 t-160 -129.22 110.45 11.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.716 ' C ' HD12 ' A' ' 49' ' ' LEU . 96.6 t -103.43 124.88 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.746 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.72 159.42 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -151.38 172.65 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -38.42 -67.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.8 26.91 6.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -139.79 115.09 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.75 118.07 23.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -141.6 150.2 41.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -132.21 140.44 48.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -140.5 123.51 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -74.02 125.44 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.67 137.63 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -93.06 17.71 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.51 153.49 55.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.2 Cg_endo -69.8 1.29 4.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -119.42 138.25 53.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.48 136.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.502 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.1 tm? -114.36 113.78 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 65' ' ' LEU . 46.4 mt -103.04 132.82 49.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 74.7 p -127.24 177.93 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mttt 60.62 46.48 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD13 HD12 ' A' ' 26' ' ' LEU . 60.8 mt -103.48 165.14 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -100.5 141.2 22.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.68 43.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.7 46.85 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.1 m -133.2 147.85 52.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' PHE . 74.6 m -92.74 121.33 34.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -116.88 118.33 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.06 132.28 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.705 HG21 HD11 ' A' ' 28' ' ' LEU . 24.5 t -127.36 142.07 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.5 ptp180 -148.23 129.6 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.757 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 6.2 p -126.06 141.44 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -140.46 155.21 46.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.1 m -87.15 126.77 35.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -80.89 141.13 34.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 p -136.43 152.87 75.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.44 10.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.73 93.46 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.84 89.49 0.62 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.12 39.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.77 163.15 8.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.62 49.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -83.67 120.54 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -41.33 155.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.65 33.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -45.48 119.78 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 17.5 m80 -97.0 112.79 24.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.33 104.96 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.4 m-85 -119.56 154.0 34.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -136.11 137.49 41.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 26' ' ' LEU . 45.0 p -82.91 -176.74 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 23' ' ' PRO . 11.6 t -82.56 142.97 46.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.34 64.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 78' ' ' ARG . 34.0 mt -70.75 108.32 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.85 131.18 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.456 HD21 ' HE3' ' A' ' 21' ' ' LYS . 60.9 tp -70.16 102.56 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.803 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -74.54 -63.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.62 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -129.98 135.15 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HE3' HD21 ' A' ' 18' ' ' LEU . 18.4 ttmt -109.58 110.66 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.34 156.8 60.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.703 0.763 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.72 14.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 12.6 mtp-105 -123.37 29.58 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' A' ' 65' ' ' LEU . 6.3 tt0 -163.73 162.09 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -154.23 120.72 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.6 tt0 -118.38 129.28 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 77' ' ' VAL . 8.9 mt -130.76 163.54 27.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 19' ' ' VAL . 11.6 t -150.23 127.42 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.8 p90 -123.34 111.3 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.096 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 82' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 m -114.13 -175.82 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -153.36 140.65 19.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -99.75 121.1 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.479 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.47 130.71 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.492 ' CE1' HH21 ' A' ' 78' ' ' ARG . 6.6 t-160 -132.06 110.67 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.88 139.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 mp -130.86 123.96 30.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.464 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 39.2 t30 -111.33 -177.56 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' ASN . 11.7 mp0 -35.82 -66.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.01 5.76 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -118.31 116.99 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.9 121.62 37.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -137.76 137.44 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -116.17 149.84 38.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -145.88 121.0 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.59 117.09 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -111.13 151.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.54 -34.2 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -93.26 152.02 40.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 3.19 2.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -118.52 119.29 34.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.02 130.67 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -111.76 109.7 19.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 65' ' ' LEU . 7.2 mt -95.92 142.37 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -131.83 -175.92 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.2 mttp 51.03 44.03 28.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.62 173.63 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.37 143.23 26.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.15 69.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 17.8 t70 47.33 54.2 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -140.81 133.67 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 96' ' ' PHE . 49.2 m -76.27 128.62 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.464 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 67.9 m-85 -126.11 113.36 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mm -80.39 133.12 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.503 HG11 HD12 ' A' ' 28' ' ' LEU . 61.5 t -131.31 140.25 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.492 HH21 ' CE1' ' A' ' 47' ' ' HIS . 25.3 ptt180 -146.96 121.08 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.2 p -114.79 155.77 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.46 145.31 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -78.84 145.8 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.608 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -96.33 139.5 32.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 p -134.41 151.89 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.09 93.06 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.23 89.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.06 69.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.66 159.76 50.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.77 26.45 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -86.12 125.58 33.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -48.12 153.01 1.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.4 Cg_endo -69.7 136.99 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -40.52 121.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 37.8 m80 -103.98 107.32 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.37 107.03 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 74' ' ' THR . 43.2 m-85 -117.7 163.14 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -136.34 133.17 36.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 p -83.1 154.66 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 1.2 t -50.84 143.18 15.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 147.28 62.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.829 HD12 ' ND1' ' A' ' 94' ' ' HIS . 43.5 mt -64.96 99.66 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -90.43 136.82 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 21' ' ' LYS . 30.7 tp -93.56 87.1 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 ' CD ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -54.35 -67.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.608 ' H ' HG23 ' A' ' 19' ' ' VAL . 34.8 ttpt -126.47 139.39 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 18' ' ' LEU . 14.6 ttpp -112.75 98.89 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -107.34 154.63 40.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.19 34.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.0 -9.49 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -126.8 154.65 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 69' ' ' LEU . 11.8 mt -160.09 118.99 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.632 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.2 tt0 -116.56 149.99 38.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.615 ' CD1' HG11 ' A' ' 77' ' ' VAL . 7.9 mt -139.38 153.5 47.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -141.04 127.29 19.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.832 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.0 p90 -124.52 110.63 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 179.888 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -130.39 179.35 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -144.73 134.71 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.88 120.95 40.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.702 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -107.56 131.78 53.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 4.2 t-160 -128.92 113.94 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 77' ' ' VAL . 75.1 t -110.85 118.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -107.49 134.1 51.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -107.0 171.95 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 34.0 mt-30 -40.27 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -108.49 35.22 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -152.71 163.33 39.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -152.91 126.49 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -148.0 140.72 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -130.35 148.15 52.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -143.25 128.08 18.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttp -77.98 126.5 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.45 137.24 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.1 -30.8 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 150.45 44.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.83 3.41 2.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -133.68 126.33 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 65' ' ' LEU . 14.8 p -107.76 153.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -121.81 113.37 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.52 133.14 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -135.88 176.79 8.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 mttp 58.94 48.36 11.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 26' ' ' LEU . 52.6 mt -104.49 169.36 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -100.27 139.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.66 67.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t0 54.55 46.26 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 m -134.17 142.31 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 96' ' ' PHE . 50.1 m -87.55 129.41 35.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -126.77 123.31 37.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.4 mm -91.43 134.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.702 HG13 HD11 ' A' ' 46' ' ' LEU . 44.5 t -136.3 141.45 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -147.42 121.71 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.832 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 3.9 p -118.9 149.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -152.08 145.51 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.2 m -60.54 107.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.94 123.75 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 p -126.73 151.74 73.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.38 7.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.2 mt -125.42 92.58 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.75 68.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.84 52.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.77 162.82 53.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 151.23 68.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 8.9 m-85 -73.96 137.04 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -61.05 158.15 36.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 134.75 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.289 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.8 117.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.829 ' ND1' HD12 ' A' ' 16' ' ' LEU . 30.6 m80 -99.31 113.37 25.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -74.95 108.81 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' THR . 48.3 m-85 -117.93 159.64 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -138.97 138.4 37.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -84.06 151.21 25.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.0 t -52.53 142.76 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.64 57.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' LEU . 82.4 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' SER . 38.1 mt -36.09 103.22 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -96.91 136.48 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 21' ' ' LYS . 61.0 tp -86.79 99.45 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -76.03 -62.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.579 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.61 130.92 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HB2' HD21 ' A' ' 18' ' ' LEU . 32.3 ttpt -115.73 96.69 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -105.58 155.65 37.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.93 30.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -129.45 15.82 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 33.9 tt0 -158.02 159.16 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 13.5 mt -151.04 132.32 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 51.0 tt0 -131.68 121.86 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -118.68 171.13 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 29' ' ' THR . 13.8 t -153.47 116.66 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 34.4 p90 -118.6 108.36 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.0 p -149.12 178.09 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.78 130.42 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -100.03 121.27 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.17 132.31 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.554 ' N ' HD13 ' A' ' 46' ' ' LEU . 20.6 t-160 -131.58 108.1 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 46' ' ' LEU . 89.3 t -104.11 139.45 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -125.05 130.04 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.546 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -100.78 170.39 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 16.9 mm-40 -37.65 -68.32 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.99 37.1 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -153.05 164.73 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -157.45 128.28 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -145.93 151.49 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -126.81 145.93 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -146.03 113.4 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' HD23 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -71.15 130.42 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.87 151.55 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 58' ' ' MET . 30.5 mt -93.33 -25.62 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.92 153.79 49.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.548 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.347 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -127.85 -177.08 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.402 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 8.9 p -164.0 136.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tm? -113.85 107.35 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.2 136.82 33.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -131.21 -175.59 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt 50.18 49.33 20.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.2 -175.22 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -118.91 143.51 33.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.91 51.67 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.9 m -137.26 137.49 39.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -83.64 119.83 25.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -118.91 113.98 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.0 mm -75.66 140.33 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 46' ' ' LEU . 20.3 t -141.1 136.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -143.97 127.37 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 2.3 p -126.25 168.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.514 ' H ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -165.44 -176.45 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -110.97 85.3 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -42.84 147.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 p -126.91 151.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 mt -125.11 97.07 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.75 85.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.05 47.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -96.54 175.39 31.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.21 25.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -95.95 129.96 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p -37.83 155.78 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.696 0.76 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.72 136.3 32.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -40.47 106.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.8 m80 -90.29 109.74 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 105.25 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 31.8 m-85 -120.48 146.42 46.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 18.5 ttm105 -132.68 136.41 46.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -81.94 158.54 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 143.17 24.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.37 64.91 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.918 0.389 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 ' HE3' ' A' ' 30' ' ' TRP . 38.2 mt -72.28 145.19 48.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 2.4 ptpp? -140.05 156.71 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -92.65 110.66 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 t -104.85 -49.33 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 27' ' ' GLU . 6.3 ttmt -120.25 103.6 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -99.12 87.28 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.93 161.22 24.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.74 21.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.77 24.06 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.467 ' OE1' HD21 ' A' ' 65' ' ' LEU . 10.8 tt0 -160.93 148.4 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 13.3 mt -144.82 128.66 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' OE2' HD23 ' A' ' 65' ' ' LEU . 16.6 tt0 -124.24 126.28 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -127.66 165.35 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 t -150.31 138.21 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 30.7 p90 -127.81 107.86 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -138.95 174.51 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -138.56 134.2 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 29.9 tt0 -100.34 120.94 40.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -104.42 134.76 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.466 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.0 t-160 -135.68 113.02 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.724 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -106.85 131.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 48' ' ' VAL . 2.6 mp -122.28 152.98 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.538 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -143.86 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 14.7 mm-40 -34.16 -63.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -127.56 28.73 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' ASN . 19.3 mt-10 -140.27 113.97 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.18 113.98 19.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 12.1 p90 -137.28 145.14 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.21 141.31 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.21 118.75 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -73.34 129.69 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.59 144.87 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -90.03 -25.86 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 1.2 pm0 -90.41 153.14 46.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.14 3.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.71 170.59 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.32 139.15 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.1 tm? -116.16 111.29 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 65' ' ' LEU . 43.0 mt -98.1 126.33 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.434 HG23 HD12 ' A' ' 65' ' ' LEU . 35.3 p -120.34 -178.23 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 54.15 46.98 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.76 -177.94 3.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -117.79 143.81 33.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.73 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t0 54.98 54.53 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.8 m -135.77 130.35 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.2 m -76.25 121.14 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 51.9 m-85 -123.07 123.7 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.57 137.46 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -133.94 150.28 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -157.48 126.23 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.667 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -121.97 147.65 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.493 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 12.4 ptt180 -144.29 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -83.15 106.54 15.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 10.0 mt -68.29 141.17 55.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 p -131.8 152.23 79.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.159 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.234 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.0 mt -125.02 92.91 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.24 84.63 0.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.37 67.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.44 169.39 54.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.13 17.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 m-85 -97.31 129.46 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -48.35 155.85 0.88 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.8 Cg_endo -69.79 136.3 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -42.21 112.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 47.4 m80 -94.37 107.7 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.9 109.19 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 42.0 m-85 -122.26 154.54 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -134.58 136.3 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.2 p -79.34 167.52 20.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -66.56 142.45 97.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.86 68.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 78' ' ' ARG . 11.3 mt -56.32 146.81 22.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 6.6 ptmt -137.13 156.89 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 21' ' ' LYS . 62.3 tp -94.18 95.47 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.65 HG23 HG22 ' A' ' 29' ' ' THR . 1.7 t -73.31 -55.43 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 19' ' ' VAL . 27.8 ttmt -132.89 125.12 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.3 ttpt -101.04 126.5 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -143.63 158.67 56.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.685 0.755 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.434 ' N ' ' HB2' ' A' ' 99' ' ' SER . 54.0 Cg_endo -69.79 -30.78 21.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -129.69 28.8 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -163.83 154.74 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -152.31 126.54 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 28' ' ' LEU . 37.7 tt0 -117.14 129.85 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.6 mt -136.3 156.61 48.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.65 HG22 HG23 ' A' ' 19' ' ' VAL . 7.6 t -146.52 134.84 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 41.9 p90 -127.72 112.7 15.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.562 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 18.4 m -99.04 174.83 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 43' ' ' SER . 15.7 m-85 -144.51 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -98.99 120.99 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -104.11 131.25 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.5 t60 -133.03 110.46 10.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -102.53 132.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.0 mp -123.33 114.18 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 13.0 t-20 -86.86 174.15 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.11 -45.44 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.04 6.9 9.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-10 -131.68 160.65 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.74 121.23 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p90 -148.18 145.54 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.5 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.65 125.9 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -81.01 128.47 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.27 158.3 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.05 -32.08 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -87.4 151.48 50.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 5.35 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -121.77 158.12 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.6 p -149.65 128.16 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -110.4 109.79 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.8 mt -96.82 138.8 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.5 p -130.69 175.64 8.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? 63.47 44.16 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.65 -176.55 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -120.15 142.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 143.36 50.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t0 63.04 41.17 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -128.03 139.66 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.4 m -88.92 125.98 35.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 74.9 m-85 -123.7 124.53 42.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.6 mm -90.76 132.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 46' ' ' LEU . 45.9 t -129.65 143.86 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.0 ptp180 -153.13 126.72 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.819 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.1 p -118.7 148.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -146.2 135.23 22.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -71.29 123.27 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -80.89 139.73 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.2 p -135.29 152.09 76.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.73 10.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.52 92.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.31 84.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.65 65.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.66 43.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 177.21 5.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.5 118.72 36.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -39.0 155.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.92 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -42.17 109.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.3 m80 -94.56 103.64 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -73.64 111.63 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 53.9 m-85 -117.49 155.8 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -129.4 131.52 46.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.4 p -81.96 172.19 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.434 ' HB2' ' N ' ' A' ' 23' ' ' PRO . 17.3 m -68.45 150.73 97.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.64 65.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.135 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 78' ' ' ARG . 53.6 mt -71.51 125.45 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -127.18 130.68 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.4 tp -72.53 98.17 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.655 HG23 HG22 ' A' ' 29' ' ' THR . 1.8 t -74.94 -51.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -133.55 133.16 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.22 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 157.45 38.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.44 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -113.72 26.68 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -161.58 154.15 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 69' ' ' LEU . 29.7 mt -150.34 126.15 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -121.65 126.27 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.81 164.48 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.655 HG22 HG23 ' A' ' 19' ' ' VAL . 14.1 t -153.73 119.76 5.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.778 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -119.19 104.06 10.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -120.43 177.94 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -137.26 134.24 35.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -99.36 120.74 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.13 130.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.615 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.0 t-160 -131.06 113.78 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 84.5 t -107.82 132.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -122.67 158.74 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.528 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -148.1 169.54 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 66.8 mt-30 -34.09 -64.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.09 31.21 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.7 mm-40 -143.55 115.78 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HG3' ' HG ' ' A' ' 49' ' ' LEU . 2.9 tt0 -124.41 116.04 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 14.4 p90 -141.6 149.89 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -134.67 143.96 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.43 131.06 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -78.4 137.95 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.6 142.68 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.24 20.96 9.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -145.87 149.86 40.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.76 3.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -129.3 127.23 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.3 p -119.25 141.15 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.02 109.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.16 137.26 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 82.0 p -136.08 169.05 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 71.84 24.99 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 26' ' ' LEU . 8.4 mt -89.95 169.66 11.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -101.43 142.9 25.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.32 68.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.2 47.21 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -134.49 144.27 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 96' ' ' PHE . 88.9 m -94.08 123.05 37.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -119.86 122.85 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.21 135.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 46' ' ' LEU . 55.8 t -134.01 145.84 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.8 ptp85 -155.11 118.53 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.778 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.7 p -110.69 147.59 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -141.79 144.57 34.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.4 m -76.25 104.22 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.92 138.01 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 p -136.23 152.71 75.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.7 18.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.2 mt -125.26 92.46 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.37 82.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.41 59.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.17 163.26 42.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.44 14.4 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.398 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.1 126.52 36.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 p -45.92 154.8 0.55 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.689 0.756 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 54.1 Cg_endo -69.75 136.68 33.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' PRO . 4.1 p30 -35.91 120.29 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.4 m80 -108.38 103.63 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.58 108.84 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 24.7 m-85 -123.19 145.3 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -126.57 141.09 51.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.6 p -82.78 177.08 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -75.85 142.35 73.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.692 0.758 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.69 63.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.95 106.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -100.68 130.54 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 HD21 ' HE3' ' A' ' 21' ' ' LYS . 51.9 tp -77.68 98.66 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -65.24 -65.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.657 ' N ' HG12 ' A' ' 19' ' ' VAL . 42.2 tttp -148.9 112.05 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.822 ' HA ' HD23 ' A' ' 26' ' ' LEU . 7.8 ptpp? -84.31 155.43 22.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -149.54 161.45 31.68 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.724 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.89 25.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -130.71 19.82 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -162.72 163.64 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 21' ' ' LYS . 11.9 mt -155.4 124.63 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 77' ' ' VAL . 10.8 mt -133.11 163.91 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.613 HG22 HG23 ' A' ' 19' ' ' VAL . 13.3 t -152.43 128.66 10.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.704 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -128.83 113.75 15.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 p -145.12 176.94 9.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.05 136.64 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.95 122.05 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -109.21 129.37 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.535 ' N ' HD13 ' A' ' 46' ' ' LEU . 12.7 t-160 -130.5 108.25 9.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 46' ' ' LEU . 58.5 t -104.27 135.42 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 49' ' ' LEU . 2.2 mp -121.73 126.01 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.514 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -98.17 168.16 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 61.7 mt-30 -35.26 -74.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -110.99 34.07 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -149.61 164.06 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -156.11 130.72 8.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.462 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 15.8 p90 -145.02 149.12 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.17 142.03 51.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -144.47 135.75 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.4 ttp -89.39 133.0 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.58 138.76 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.52 -23.13 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.71 154.74 45.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.67 2.88 3.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -129.99 176.64 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -156.88 145.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.14 106.79 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.06 135.99 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 p -136.22 175.77 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 62.43 45.91 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.81 179.16 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -107.48 139.67 20.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.722 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.83 51.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 17.9 t70 57.77 48.94 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.5 m -137.54 141.31 41.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 96' ' ' PHE . 77.9 m -80.23 132.23 35.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.51 121.54 27.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.23 137.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 46' ' ' LEU . 41.4 t -136.98 141.66 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -151.42 124.13 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.704 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.1 p -118.6 152.42 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.656 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 10.9 ptt180 -153.71 145.44 23.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -77.09 110.83 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.73 137.78 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -133.84 152.53 78.87 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.563 0.697 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -35.47 12.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.97 92.96 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.65 83.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.45 67.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.66 164.59 48.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.83 59.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.0 m-85 -85.84 119.27 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' PHE . 16.7 p -37.59 153.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.705 0.764 . . . . 0.0 110.811 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' ASP . 53.5 Cg_endo -69.76 135.62 30.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' PRO . 1.5 p30 -37.58 99.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.7 m80 -90.53 104.91 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -67.68 136.84 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.9 m-85 -144.37 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -131.65 141.83 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.8 p -83.97 163.29 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -66.93 149.09 98.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.724 0.773 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 147.76 63.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.316 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' LEU . 10.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 58.3 mt -33.92 120.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -116.62 137.12 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 21' ' ' LYS . 26.1 tp -93.35 85.8 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -58.13 -68.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' H ' HG23 ' A' ' 19' ' ' VAL . 32.8 ttmt -112.44 134.54 53.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' ' 18' ' ' LEU . 25.6 ttpp -111.46 89.81 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.3 153.34 38.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 98' ' ' THR . 54.0 Cg_endo -69.73 -16.64 37.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -126.94 -24.64 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -113.57 160.84 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' A' ' 98' ' ' THR . 8.0 mt -165.52 112.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.629 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 tt0 -108.84 150.7 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.5 mt -138.89 149.74 45.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -143.13 131.05 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.698 ' CE2' HG21 ' A' ' 79' ' ' VAL . 31.7 p90 -124.3 109.34 13.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 m -123.17 177.41 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -141.81 135.75 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.94 122.64 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.82 128.42 54.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.4 t-160 -126.49 117.57 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -108.63 133.15 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 49' ' ' LEU . 1.5 mp -128.42 124.92 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' GLN . 58.7 t30 -112.29 178.94 4.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.2 tt0 -33.72 -63.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 3.48 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -116.52 113.69 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -122.52 114.94 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -131.6 129.08 40.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -108.62 154.93 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -153.9 127.36 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 ttp -78.19 126.69 31.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.72 142.88 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.08 -28.35 22.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 5.1 pt-20 -94.53 153.19 40.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.475 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 6.89 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 17.4 ptp180 -126.07 150.19 48.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 p -137.05 136.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -108.19 112.62 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -110.22 128.32 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.9 p -131.26 -174.8 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 56.65 44.42 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 14.2 mt -101.79 174.12 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -105.97 141.92 23.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.6 48.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t0 58.27 53.28 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -138.24 143.27 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -89.42 120.15 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 66.7 m-85 -117.87 124.16 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.4 mm -90.89 138.31 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.718 HG13 HD11 ' A' ' 46' ' ' LEU . 23.5 t -141.99 137.71 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' A' ' 16' ' ' LEU . 11.6 ptt180 -142.04 133.26 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CE2' ' A' ' 30' ' ' TRP . 8.5 p -123.57 146.94 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 15.2 ptt180 -149.09 142.18 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -72.03 107.36 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 82' ' ' LEU . 10.2 mt -67.6 141.94 56.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 p -133.11 152.02 78.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -40.23 5.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.6 mt -125.07 92.67 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.86 80.75 1.25 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.79 43.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.3 166.09 30.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.18 61.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 7.7 m-85 -80.15 144.2 33.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -63.01 156.27 68.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 134.8 28.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.86 105.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 16' ' ' LEU . 12.0 m80 -85.65 107.51 17.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.37 107.64 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 27.2 m-85 -120.32 144.17 47.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -129.2 136.8 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.466 HG22 ' HG ' ' A' ' 26' ' ' LEU . 16.7 p -82.35 145.32 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.4 t -43.89 142.21 2.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.762 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.08 56.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 78' ' ' ARG . 20.4 mt -50.93 120.49 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.29 135.41 54.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD11 HD22 ' A' ' 26' ' ' LEU . 25.7 tp -84.51 97.26 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.35 -42.22 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 31.3 tptt -113.71 113.11 24.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB2' HD21 ' A' ' 18' ' ' LEU . 20.6 tttm -107.99 87.65 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -115.93 156.74 46.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -21.03 33.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.61 27.16 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -168.65 152.03 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.924 HD11 HG22 ' A' ' 98' ' ' THR . 41.9 mt -156.39 126.86 6.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 19' ' ' VAL . 34.7 tt0 -113.13 142.63 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 16' ' ' LEU . 15.7 mt -131.23 153.3 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -141.58 125.06 16.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.83 106.67 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.513 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 69.7 m -117.85 176.32 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -137.61 133.03 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.7 tp10 -98.67 120.81 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -108.54 132.27 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' N ' HD13 ' A' ' 46' ' ' LEU . 6.9 t-160 -133.93 110.93 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.662 HG22 HG22 ' A' ' 77' ' ' VAL . 58.8 t -105.56 133.35 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -124.66 162.08 24.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLU . 34.1 t30 -150.89 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -48.31 -60.16 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 23.44 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' ASN . 57.5 mt-10 -136.88 115.49 12.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.64 116.04 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -138.8 154.7 48.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.529 ' HB3' ' CG ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -141.53 143.48 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -149.15 134.72 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 43' ' ' SER . 3.0 ttp -82.07 122.44 27.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.37 142.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.18 18.31 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -138.14 150.64 67.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.72 4.08 2.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -133.23 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.32 135.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -112.38 109.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.5 mt -95.2 140.07 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.2 p -133.57 177.84 7.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 59.54 47.66 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -107.4 168.71 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.57 141.58 22.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.69 33.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 62.11 54.95 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 m -141.48 135.85 30.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.1 m -75.99 125.85 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.94 121.73 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.5 mm -90.77 138.49 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 46' ' ' LEU . 58.3 t -139.98 148.95 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HA ' HD11 ' A' ' 16' ' ' LEU . 27.1 ptt180 -153.28 127.43 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.621 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.7 p -122.37 144.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 9.1 ptt180 -149.24 152.56 36.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -83.7 135.88 34.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 45' ' ' GLU . 4.1 mm? -83.05 145.84 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.41 ' HG1' ' C ' ' A' ' 86' ' ' GLY . 4.1 p -135.31 152.15 76.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.9 mt -125.42 95.78 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.41 ' C ' ' HG1' ' A' ' 83' ' ' THR . . . 80.72 91.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.63 51.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.59 160.89 23.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 144.98 55.63 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.2 m-85 -71.95 137.12 47.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -55.89 153.82 15.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.45 25.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -38.2 110.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.0 m80 -91.79 107.1 18.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -67.82 109.44 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.3 m-85 -119.27 151.07 39.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -129.55 122.58 29.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.924 HG22 HD11 ' A' ' 26' ' ' LEU . 72.4 p -68.96 166.62 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 t -64.45 132.35 95.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.84 63.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 78' ' ' ARG . 33.4 mt -63.33 146.51 53.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 5.9 ptmt -138.48 152.04 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.516 HD21 ' HE3' ' A' ' 21' ' ' LYS . 54.4 tp -89.0 97.37 11.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -69.63 -59.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.2 ttpt -136.14 126.14 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.516 ' HE3' HD21 ' A' ' 18' ' ' LEU . 13.3 ttmt -94.17 123.11 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -139.35 157.33 70.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.18 5.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -119.2 28.94 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 39.4 tt0 -163.06 154.14 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 69' ' ' LEU . 19.0 mt -152.32 115.49 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.9 tt0 -107.19 142.57 36.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -147.77 160.49 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 14.1 t -153.97 138.03 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.845 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 33.6 p90 -128.65 107.38 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 82' ' ' LEU . 7.4 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 1.3 p -127.96 -176.66 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -145.71 136.2 24.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.8 120.6 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.69 130.18 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.519 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.3 t-160 -130.77 106.07 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.784 ' C ' HD12 ' A' ' 49' ' ' LEU . 91.3 t -99.24 138.52 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -125.32 161.69 26.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.572 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 57.7 t30 -150.7 168.54 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -33.79 -64.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.07 26.03 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -140.92 115.47 9.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.32 127.59 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.4 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 7.3 p90 -147.57 140.98 25.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -127.85 152.67 47.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -150.61 135.08 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 2.1 ttp -82.32 119.53 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.0 143.12 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.5 -24.7 21.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.78 152.86 45.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.546 ' O ' ' CD2' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.79 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -123.88 166.12 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.43 HG12 ' HZ3' ' A' ' 30' ' ' TRP . 7.3 p -151.38 133.97 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.28 107.44 18.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.6 mt -93.73 129.61 40.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.0 p -130.99 173.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 mttp 61.43 42.79 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 26' ' ' LEU . 22.9 mt -98.84 -177.95 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.68 142.51 26.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 135.13 29.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 60.33 50.77 5.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.1 m -135.24 137.45 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.4 m -80.67 125.05 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 65.6 m-85 -123.06 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -90.68 140.2 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 46' ' ' LEU . 11.1 t -137.0 148.83 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.756 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.4 ptp85 -157.56 125.98 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.845 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.1 p -119.08 147.68 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 7.3 ptm180 -134.75 172.24 13.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 83' ' ' THR . 91.5 m -112.59 106.27 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 42' ' ' LEU . 3.6 mm? -55.76 145.64 23.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 81' ' ' THR . 1.2 p -152.53 153.68 30.82 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.564 0.697 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.15 17.19 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.64 2.227 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -125.29 93.89 4.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 87' ' ' PRO . . . 74.33 100.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 86' ' ' GLY . 53.9 Cg_endo -69.77 158.31 57.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.478 ' O ' ' NE ' ' A' ' 80' ' ' ARG . . . -62.26 150.34 46.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.56 10.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' ' HD2' ' A' ' 80' ' ' ARG . 8.2 m-85 -52.58 110.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -38.3 155.85 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.73 136.52 33.29 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -38.73 104.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 43.5 m80 -89.86 104.83 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 122.91 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 46.2 m-85 -133.7 145.9 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -124.16 133.52 53.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.535 ' CG2' HD11 ' A' ' 26' ' ' LEU . 19.5 p -80.24 165.65 22.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -64.32 142.32 98.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.59 63.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' ND1' ' A' ' 94' ' ' HIS . 12.5 mt -49.23 122.14 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.72 140.99 45.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 21' ' ' LYS . 58.0 tp -94.97 92.65 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 HG22 ' A' ' 29' ' ' THR . 1.6 t -67.4 -57.74 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.9 tttp -151.19 114.79 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.837 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.3 pttt -94.75 141.18 28.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -130.69 161.32 61.78 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.83 33.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -130.87 -4.42 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -138.93 169.17 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 21' ' ' LYS . 12.2 mt -156.8 116.52 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -108.26 113.78 27.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.07 162.0 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.675 HG22 HG23 ' A' ' 19' ' ' VAL . 13.9 t -153.86 125.78 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.827 ' CE2' HG21 ' A' ' 79' ' ' VAL . 19.2 p90 -112.79 105.98 14.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.7 m -117.03 175.32 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.09 135.82 32.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -99.68 123.16 43.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -108.91 135.26 50.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.6 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.7 t-160 -137.63 113.19 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.99 135.39 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.65 119.17 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -91.73 170.51 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 19.3 mm-40 -42.8 -70.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.06 26.17 10.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' ASN . 11.1 mm-40 -145.32 159.97 42.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.62 129.24 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -148.97 140.11 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -126.09 159.56 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -157.48 123.27 4.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -73.81 130.62 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.38 156.87 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.3 mt -101.56 -33.43 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.88 154.38 58.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 3.53 2.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.26 147.73 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.29 135.43 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD13 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.92 103.59 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mt -98.3 121.91 40.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 HD12 ' A' ' 65' ' ' LEU . 19.1 p -116.53 -178.41 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 mttt 55.76 46.57 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -106.26 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -119.5 142.27 32.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.54 65.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 45.6 52.06 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 m -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 m -84.21 119.36 24.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -121.44 136.91 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.45 125.69 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 46' ' ' LEU . 36.5 t -121.17 143.37 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -148.61 123.6 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 30' ' ' TRP . 9.8 p -124.56 143.19 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.1 144.81 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.5 m -72.2 125.53 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -87.3 138.26 31.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.6 p -135.79 152.12 75.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -34.62 14.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.5 mt -125.64 92.28 3.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.08 75.43 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.13 32.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.9 158.31 8.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -86.67 121.87 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -43.67 155.37 0.32 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.741 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.5 Cg_endo -69.74 134.88 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -40.17 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 58.8 m80 -95.21 109.08 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.91 110.53 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 57.2 m-85 -117.19 159.0 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -137.98 128.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -73.92 175.06 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -75.76 139.72 70.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 148.24 64.58 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.96 0.409 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.653 HD22 HD13 ' A' ' 28' ' ' LEU . 25.1 mt -51.39 112.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -100.56 133.05 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 21' ' ' LYS . 44.0 tp -84.16 92.59 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 20' ' ' LYS . 13.4 m -61.03 -55.86 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.611 ' H ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -138.3 138.0 37.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HB2' HD21 ' A' ' 18' ' ' LEU . 30.9 ttpt -109.58 90.45 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -104.48 158.29 32.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -32.32 18.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -126.22 29.37 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -165.8 143.74 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.794 HD11 ' CG2' ' A' ' 98' ' ' THR . 33.4 mt -157.69 115.47 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.75 ' O ' HD23 ' A' ' 28' ' ' LEU . 57.2 tt0 -109.71 158.38 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 27' ' ' GLU . 10.9 mt -144.99 149.12 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -139.02 119.11 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.901 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.0 p90 -116.11 103.98 11.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 82' ' ' LEU . 13.8 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 m -125.65 174.82 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -135.96 135.91 39.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 82' ' ' LEU . 9.8 tp10 -98.78 120.9 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -110.82 130.64 55.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' CE1' HD11 ' A' ' 49' ' ' LEU . 13.7 t-160 -134.25 114.41 13.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG22 HG22 ' A' ' 77' ' ' VAL . 62.0 t -105.92 137.61 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -125.47 148.48 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 43.8 t30 -138.51 173.65 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.0 tt0 -33.89 -67.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -129.08 28.15 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -139.58 114.09 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.44 125.86 47.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 55' ' ' TRP . 1.4 p90 -148.46 135.24 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -122.56 147.21 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -146.65 127.85 14.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.8 125.5 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -114.33 144.74 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -87.19 -30.25 21.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -87.88 152.94 51.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -127.78 156.23 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.34 146.55 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.2 tm? -122.42 111.72 17.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.13 133.6 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -129.71 -179.79 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 56.77 45.01 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.89 -179.08 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.11 139.31 23.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.968 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.06 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 24.8 t70 59.73 49.97 7.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.8 m -137.13 131.2 32.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.8 m -72.75 128.96 37.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 40.3 m-85 -127.89 126.63 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.79 127.44 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HD11 ' A' ' 46' ' ' LEU . 46.0 t -128.58 138.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.701 ' O ' HD22 ' A' ' 46' ' ' LEU . 3.8 ptp180 -136.52 145.87 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.901 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -146.72 149.62 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.466 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -147.81 175.39 10.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.438 ' O ' ' NH2' ' A' ' 80' ' ' ARG . 27.4 m -109.25 97.19 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm? -46.1 153.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.9 154.63 80.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -39.15 6.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -125.51 106.4 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.7 94.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.22 59.48 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.438 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -76.34 176.79 51.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -110.91 129.98 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 p -40.62 155.9 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 135.93 31.53 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -43.09 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.4 m80 -82.11 107.68 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.18 106.33 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 41.8 m-85 -117.8 154.16 32.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -135.4 133.93 39.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.794 ' CG2' HD11 ' A' ' 26' ' ' LEU . 23.0 p -81.75 159.23 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -55.15 143.8 52.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.02 61.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 72' ' ' ASP . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 28' ' ' LEU . 15.5 mt -76.82 115.45 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -108.77 135.15 50.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 21' ' ' LYS . 46.2 tp -84.08 90.42 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 20' ' ' LYS . 11.9 m -63.05 -55.35 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' H ' HG23 ' A' ' 19' ' ' VAL . 26.8 ttmt -124.19 137.44 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HG3' HD21 ' A' ' 18' ' ' LEU . 6.9 ttmm -113.19 83.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.55 155.6 39.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.21 28.93 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.756 2.304 . . . . 0.0 112.32 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -130.34 28.7 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -167.41 138.69 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD11 HG22 ' A' ' 98' ' ' THR . 48.1 mt -156.38 117.16 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HB2' HD22 ' A' ' 65' ' ' LEU . 39.6 tt0 -112.01 158.06 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 16' ' ' LEU . 13.0 mt -138.04 149.94 46.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.524 HG22 HG13 ' A' ' 19' ' ' VAL . 2.8 t -138.87 117.89 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 1.208 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 39.6 p90 -121.55 106.81 11.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -138.19 175.45 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.749 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.9 m-85 -145.83 139.94 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -101.96 121.17 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -106.11 136.04 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -135.66 117.65 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 77' ' ' VAL . 88.0 t -114.61 129.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 49' ' ' LEU . 4.7 mp -117.01 123.13 46.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -96.2 170.17 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 21.5 mt-30 -41.23 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.3 35.3 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -152.97 163.03 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -157.06 114.26 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -133.7 143.91 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -130.17 142.85 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -145.66 130.94 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.3 ttp -79.92 125.2 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.59 148.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.52 -22.55 22.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -111.56 153.5 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.74 1.58 4.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.45 117.75 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 135.55 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -108.66 107.83 18.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.29 127.01 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HD12 ' A' ' 65' ' ' LEU . 66.4 p -129.27 -178.23 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 mttt 57.24 41.32 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 mt -96.04 -176.19 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' N ' ' OH ' ' A' ' 75' ' ' TYR . 70.1 mt-30 -113.98 138.06 22.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.33 42.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 25.9 t70 60.08 49.75 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 51' ' ' GLN . 32.7 m -141.81 143.0 33.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.0 m -86.12 125.82 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' N ' ' A' ' 70' ' ' GLN . 65.5 m-85 -119.21 115.92 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mm -82.37 133.45 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 48' ' ' VAL . 32.1 t -137.81 148.88 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -151.75 128.14 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.208 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 9.2 p -125.31 142.92 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HE ' HD11 ' A' ' 82' ' ' LEU . 15.5 ptt180 -140.32 144.3 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.749 HG23 ' CE2' ' A' ' 44' ' ' TYR . 3.1 m -82.7 99.44 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 ' HE ' ' A' ' 80' ' ' ARG . 5.2 mp -66.73 165.97 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -147.57 161.09 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 53.7 Cg_endo -69.74 -23.33 31.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -126.02 91.44 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.84 100.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.91 41.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.0 173.76 27.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -111.02 130.4 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -46.4 155.76 0.54 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.0 Cg_endo -69.8 136.63 33.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -38.87 115.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 42.8 m80 -101.73 107.99 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.16 104.73 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.4 m-85 -112.13 144.2 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -123.37 140.66 52.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 26' ' ' LEU . 22.2 p -94.71 144.25 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -46.82 142.54 4.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.09 68.15 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.834 HD12 ' ND1' ' A' ' 94' ' ' HIS . 8.6 mt -46.2 163.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.27 156.55 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 21' ' ' LYS . 57.3 tp -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG13 ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.1 -72.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 19' ' ' VAL . 14.1 tptt -135.0 99.46 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.675 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.1 ptpt -72.36 138.22 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.66 153.98 81.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -14.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -131.57 -7.89 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 11.2 tt0 -138.88 168.2 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 21' ' ' LYS . 9.9 mt -161.97 113.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.626 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.5 tt0 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 27' ' ' GLU . 5.2 mt -149.27 155.31 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -150.53 129.21 12.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.852 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 24.5 p90 -119.8 105.1 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.876 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 m -102.64 172.2 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -142.45 133.14 25.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -99.24 120.74 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -106.41 134.64 49.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.608 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.5 t-160 -136.12 119.4 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -114.02 131.75 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 49' ' ' LEU . 4.8 mp -121.29 153.72 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -141.53 170.55 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.551 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 10.3 mm100 -35.04 -63.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -129.74 33.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ASN . 66.7 mt-10 -145.9 117.43 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.11 122.2 37.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -146.19 139.19 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -121.78 149.07 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 66' ' ' LEU . 8.1 pt20 -145.94 119.53 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -75.87 132.31 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.6 143.1 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 mt -88.17 -18.93 27.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.87 153.64 39.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -123.71 131.91 53.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG11 ' HG ' ' A' ' 46' ' ' LEU . 9.2 p -125.88 142.07 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' A' ' 67' ' ' THR . 1.0 OUTLIER -114.96 110.95 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.532 HD23 ' OE1' ' A' ' 57' ' ' GLN . 14.9 mt -97.54 128.79 44.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 65' ' ' LEU . 53.9 p -125.05 175.02 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt 60.16 42.9 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 32.1 mt -102.27 169.64 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -107.57 139.14 20.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 47.76 42.6 15.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.8 m -135.03 141.37 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 m -91.28 113.04 25.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 78.6 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mm -67.84 142.2 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 28' ' ' LEU . 15.0 t -133.81 148.01 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -161.4 125.47 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.852 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.6 p -124.34 147.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -145.02 143.2 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -77.01 116.66 17.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.0 138.98 42.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 p -133.69 152.2 78.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.0 8.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.41 92.3 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.8 80.3 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 142.19 46.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.29 38.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.49 38.08 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' SER . 7.7 m-85 -83.66 119.74 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' PHE . 4.5 p -37.29 156.35 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.08 18.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.04 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.834 ' ND1' HD12 ' A' ' 16' ' ' LEU . 51.1 m80 -81.93 -176.93 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.1 114.99 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -127.74 139.94 52.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -131.13 148.5 52.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.7 p -94.2 149.99 20.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -51.98 151.75 6.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.79 63.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.878 0.371 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 28' ' ' LEU . 27.4 mt -66.85 112.02 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -108.3 137.59 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 21' ' ' LYS . 45.3 tp -88.31 107.98 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -87.76 -44.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -133.64 129.63 37.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.699 ' HB2' HD21 ' A' ' 18' ' ' LEU . 34.8 ttpt -114.77 87.81 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -105.82 157.54 34.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.87 32.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -134.89 28.42 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -168.5 149.17 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 98' ' ' THR . 66.9 mt -156.6 126.37 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' VAL . 46.8 tt0 -116.91 142.44 46.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 16' ' ' LEU . 5.5 mt -133.26 154.14 50.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -140.14 127.02 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.941 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.2 p90 -126.93 104.15 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.136 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 82' ' ' LEU . 10.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.423 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 7.1 p -117.17 -176.2 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.658 ' CE2' HG23 ' A' ' 81' ' ' THR . 10.1 m-85 -157.22 139.0 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.2 123.14 42.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -109.14 132.85 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.477 ' N ' HD13 ' A' ' 46' ' ' LEU . 21.5 t-160 -133.03 112.95 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' C ' HD12 ' A' ' 49' ' ' LEU . 82.5 t -107.97 137.15 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.737 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -124.97 147.61 48.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 75' ' ' TYR . 29.1 t30 -139.86 175.08 9.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -41.37 -61.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.91 20.77 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' ASN . 21.0 mt-10 -137.69 114.7 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -134.14 113.01 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -132.4 159.29 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -132.59 133.65 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.08 129.04 27.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -82.06 128.25 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.17 138.15 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.9 mt -79.7 -27.94 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -93.96 148.97 36.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.75 3.03 3.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -127.43 127.46 44.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.0 p -116.31 144.01 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -120.37 107.99 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -98.44 138.18 36.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 47.4 p -135.84 172.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 67' ' ' THR . 7.6 mmtm 71.55 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 mt -81.0 173.39 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.85 142.19 24.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 148.11 63.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 12.4 t70 50.63 50.16 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.9 m -138.54 129.68 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -72.78 121.97 20.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 50' ' ' ASN . 61.1 m-85 -118.98 119.18 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.7 mm -89.55 133.35 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 28' ' ' LEU . 27.6 t -136.05 137.37 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.9 ptp180 -138.12 121.11 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.941 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.1 p -116.09 146.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -148.39 136.54 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.7 m -77.23 128.39 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.532 ' O ' HD22 ' A' ' 42' ' ' LEU . 6.2 mp -88.42 162.33 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -144.62 161.65 42.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.688 . . . . 0.0 111.16 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 54.2 Cg_endo -69.66 -24.57 30.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.87 91.24 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.02 97.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HA ' HG23 ' A' ' 83' ' ' THR . 54.0 Cg_endo -69.72 140.75 43.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.17 166.14 6.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.38 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.48 138.44 36.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -60.11 155.23 46.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.75 33.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 119.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 22.5 m80 -102.61 107.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -68.03 105.92 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 38.6 m-85 -116.49 149.55 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -127.76 132.99 49.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.716 HG22 HD11 ' A' ' 26' ' ' LEU . 77.0 p -81.02 169.06 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -64.52 142.82 98.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.34 30.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 72' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 HD13 ' A' ' 28' ' ' LEU . 14.6 mt -58.0 107.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -106.71 139.4 41.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.0 tp -85.84 95.06 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -81.83 -48.64 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -122.39 116.99 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.75 88.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -111.31 151.37 43.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.749 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -23.03 31.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -124.58 8.25 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -150.7 156.15 40.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.0 mt -160.77 116.38 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.564 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.0 tt0 -106.57 147.07 29.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.7 mt -136.54 134.59 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 29' ' ' THR . 10.0 t -130.6 114.94 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.597 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.2 p90 -116.97 104.4 11.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -118.72 174.19 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -132.14 139.91 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -100.8 121.27 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD11 HG13 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -107.38 134.26 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.7 t-160 -133.74 112.2 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 77' ' ' VAL . 63.9 t -106.49 136.89 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.652 HD11 ' NH1' ' A' ' 78' ' ' ARG . 2.9 mp -122.32 124.63 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -95.91 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 9.8 mm100 -40.79 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.03 32.64 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -151.35 163.06 39.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -152.92 126.95 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -140.91 150.13 42.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -128.68 150.03 50.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.34 128.62 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -81.61 131.99 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -118.98 140.89 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.19 19.65 10.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.19 153.67 53.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.68 2.85 3.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -129.64 130.19 45.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.49 136.03 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.26 108.75 20.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.5 124.33 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -121.28 179.08 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mttt 59.4 45.33 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.09 174.89 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -116.24 142.04 28.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 141.97 46.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 11.6 t0 59.48 50.89 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.4 m -141.58 138.66 32.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' PHE . 33.3 m -83.79 127.53 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -122.5 111.93 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.5 mm -84.99 138.77 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 48' ' ' VAL . 42.0 t -139.79 141.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.652 ' NH1' HD11 ' A' ' 49' ' ' LEU . 8.7 ptp85 -143.96 121.5 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.597 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.8 p -115.58 142.79 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -147.29 140.66 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -69.62 125.95 28.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.21 141.96 31.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -132.9 153.33 80.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.856 ' HG2' HD23 ' A' ' 85' ' ' LEU . 53.3 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.856 HD23 ' HG2' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -125.32 92.73 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.18 80.13 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.99 64.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 80' ' ' ARG . . . -68.76 164.32 49.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -82.42 127.57 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -46.61 156.08 0.54 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.761 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.93 29.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -39.33 109.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -91.16 101.81 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 112.35 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.0 m-85 -121.68 151.77 40.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.96 126.28 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 26' ' ' LEU . 60.7 p -79.11 151.01 31.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -53.86 153.29 8.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.38 63.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -95.94 114.96 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 13.4 t -49.19 -61.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.25 -143.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -57.56 177.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -44.48 167.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.33 -41.2 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.427 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.28 93.45 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' SER . 32.3 mm-40 -101.21 26.68 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' GLU . 7.5 t 35.56 41.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 tp -38.83 145.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -84.66 40.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.83 54.23 32.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 80' ' ' ARG . 63.1 mt -128.46 65.11 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 28.8 p -103.59 86.83 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 78' ' ' ARG . 51.2 mt -37.41 139.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -131.81 143.26 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 28.2 tp -76.0 102.99 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 20' ' ' LYS . 2.0 t -73.47 -55.43 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 19' ' ' VAL . 36.8 ttpt -141.05 133.91 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -101.17 111.14 23.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -128.13 157.01 75.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -27.28 26.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -133.66 29.61 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -164.23 150.88 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' HG22 ' A' ' 98' ' ' THR . 11.4 mt -154.19 117.91 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 65' ' ' LEU . 21.2 tt0 -109.85 145.15 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -142.48 154.36 44.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -145.85 135.43 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.727 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.5 p90 -128.88 113.87 15.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.89 150.6 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.54 40.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -111.11 172.11 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.12 145.73 31.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.69 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 63.35 37.26 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 5.1 t30 -87.26 139.85 32.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 37' ' ' ASN . 53.8 Cg_endo -69.73 174.79 8.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.27 -176.11 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' ASN . . . 88.34 58.75 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.9 m-20 -37.2 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 179.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 m -140.69 177.21 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -148.1 134.78 19.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HB2' HD21 ' A' ' 82' ' ' LEU . 11.5 tp10 -99.02 121.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -103.38 135.11 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.475 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.2 t-160 -136.86 113.43 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.739 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 67.2 t -106.31 138.49 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.4 mp -129.33 141.34 51.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.07 176.12 7.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -43.99 -58.62 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.75 29.79 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -146.13 114.64 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 126.56 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.739 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 6.0 p90 -144.6 148.23 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -129.34 154.05 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -156.05 114.87 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -73.01 125.3 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.34 143.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -95.49 17.06 15.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.13 152.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.739 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 1.63 4.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -118.81 160.74 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -157.62 133.92 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -115.79 111.57 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.69 132.1 46.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -126.74 176.76 7.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt 61.08 41.96 13.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.59 165.31 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -95.75 141.34 23.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.68 51.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 13.8 t70 56.3 54.08 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 m -138.74 135.88 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.1 m -82.88 116.41 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -112.75 119.28 37.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.42 133.99 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 28' ' ' LEU . 20.5 t -130.21 144.44 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.3 ptm180 -152.39 121.32 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.727 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 11.4 p -116.94 144.52 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.47 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -140.63 134.27 30.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -69.44 132.16 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -85.69 142.37 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 p -141.26 152.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.68 12.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.8 mt -125.15 92.82 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.68 85.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.488 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.15 47.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.4 157.41 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.33 21.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 14.1 m-85 -87.29 115.47 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 p -40.49 155.18 0.19 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.63 33.42 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.87 109.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -90.62 104.82 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.24 107.38 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 23.7 m-85 -121.23 145.16 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -122.62 133.53 54.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 26' ' ' LEU . 74.8 p -77.19 164.74 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -65.18 143.73 98.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 148.43 64.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.51 12.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.6 t -38.11 112.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -146.29 171.43 27.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.32 4.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.9 p -148.4 125.74 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.5 p -59.46 141.28 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -50.6 -56.87 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -163.5 153.27 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.2 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -117.77 81.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -142.05 154.35 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.27 111.97 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.3 121.51 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.08 136.48 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.9 p -140.57 110.78 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 11' ' ' LEU . 3.7 tt -61.15 113.94 2.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -49.71 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.21 51.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' H ' HD21 ' A' ' 11' ' ' LEU . 41.9 mt -126.44 51.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -82.73 96.17 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' A' ' 78' ' ' ARG . 18.2 mt -42.88 152.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.748 ' HD2' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.66 140.29 31.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.39 98.78 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 t -73.35 -57.78 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.67 134.98 48.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -106.77 99.2 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -117.2 155.17 50.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -121.06 29.28 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -165.98 155.68 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 98' ' ' THR . 36.2 mt -155.87 121.18 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.8 tm-20 -116.72 133.7 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.7 mt -135.35 162.8 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 19' ' ' VAL . 11.1 t -151.0 137.14 18.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 22.9 p90 -126.01 110.01 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.67 168.34 18.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.07 -63.65 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -72.43 111.41 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.01 130.73 68.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 120.28 7.08 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -47.97 -47.5 32.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -97.93 150.96 37.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 105.33 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.46 -125.29 2.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.19 85.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -94.43 38.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -107.11 160.33 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -115.19 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -148.71 136.66 20.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.04 120.97 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -107.05 134.11 50.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' N ' HD13 ' A' ' 46' ' ' LEU . 2.2 t60 -133.68 116.96 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 77' ' ' VAL . 98.5 t -111.34 133.01 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.732 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -120.86 154.71 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 33.0 t30 -142.59 173.94 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -44.26 -54.93 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.28 21.44 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 57.4 mt-10 -141.54 114.49 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -128.46 122.04 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -135.81 158.11 45.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.14 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -149.94 122.51 8.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 ttp -77.69 120.53 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -109.34 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -97.89 21.37 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -148.59 154.43 41.07 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.667 0.746 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -119.35 142.07 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.76 133.03 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 65' ' ' LEU . 2.0 tm? -113.94 112.13 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 69' ' ' LEU . 21.6 mt -98.76 123.54 43.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt 60.67 40.97 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 66' ' ' LEU . 25.7 mt -100.69 -175.9 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -119.43 144.11 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.56 69.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 46.6 46.72 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.4 m -127.54 134.29 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.9 m -79.79 120.68 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 56.0 m-85 -124.69 120.08 30.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.41 133.92 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 46' ' ' LEU . 51.5 t -132.43 143.2 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.8 ptp180 -153.68 122.9 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.3 p -115.3 144.55 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -141.19 132.85 27.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 m -70.01 125.75 27.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.73 138.99 33.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 p -133.59 152.09 78.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -36.73 10.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.09 92.87 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.56 84.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 151.44 68.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.55 54.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -91.63 120.51 32.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 p -40.12 155.01 0.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.2 Cg_endo -69.78 136.6 33.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -38.06 116.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 26.9 m80 -102.71 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.79 105.1 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.8 m-85 -112.74 146.01 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -127.96 126.44 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.72 HG22 HD11 ' A' ' 26' ' ' LEU . 64.8 p -71.16 164.43 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -60.46 142.89 90.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.716 0.769 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.08 55.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 178.91 4.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -41.96 113.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.18 84.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.7 Cg_endo -69.77 0.06 6.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 104' ' ' PRO . 4.4 m -35.23 150.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 t -109.47 95.83 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 87.6 p -115.86 -31.86 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.5 p 34.79 43.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.34 77.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 6' ' ' SER . 26.9 m -130.65 -58.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 93.4 p -36.01 135.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.99 104.62 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.92 86.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -136.29 105.07 5.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -57.41 147.06 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' ' 14' ' ' LEU . 1.3 pt? -112.6 -176.49 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.8 t -33.68 -55.07 0.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.27 77.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.904 ' HB2' HD11 ' A' ' 11' ' ' LEU . 61.0 mt -146.72 132.96 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t -142.67 115.57 8.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 28' ' ' LEU . 41.9 mt -74.63 102.66 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -97.69 131.59 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 26' ' ' LEU . 17.9 tp -82.78 109.2 16.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -45.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -109.14 104.94 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' CG ' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -99.72 79.28 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -110.99 157.67 38.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.16 20.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -124.87 28.1 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -167.41 148.24 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 20' ' ' LYS . 29.5 mt -156.99 130.18 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' HD22 ' A' ' 65' ' ' LEU . 61.7 tt0 -121.03 138.17 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 16' ' ' LEU . 26.2 mt -122.36 159.88 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -149.35 124.13 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 79' ' ' VAL . 35.3 p90 -126.37 103.94 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.11 17.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.54 127.54 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.3 p -54.02 109.28 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -126.79 132.89 24.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.29 2.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -125.75 155.65 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -79.72 140.44 54.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.2 6.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.37 130.26 37.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.31 125.49 2.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.37 127.89 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.03 174.3 5.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p -136.99 177.44 7.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -138.95 134.68 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -99.89 121.01 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.64 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -104.23 135.82 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.603 ' N ' HD13 ' A' ' 46' ' ' LEU . 16.1 t-160 -133.76 112.55 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 77' ' ' VAL . 90.6 t -109.11 131.79 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mp -125.43 155.44 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLU . 45.7 t30 -141.66 177.16 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -44.41 -58.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.3 30.01 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' ASN . 37.9 mt-10 -146.97 115.39 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -126.74 121.15 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.4 p90 -142.91 137.74 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 154.77 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -157.79 124.47 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -78.44 128.4 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.07 145.41 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.8 mt -85.04 -29.95 24.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 150.47 36.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.754 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.75 2.65 3.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.733 2.288 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -124.71 134.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.73 140.16 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -111.55 112.29 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.82 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.624 HG23 HD12 ' A' ' 65' ' ' LEU . 72.4 p -117.58 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt 62.65 41.29 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -101.32 162.46 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -92.62 142.1 25.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.11 56.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t70 54.64 51.52 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.8 m -137.13 129.82 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -73.51 133.43 43.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -131.66 121.69 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.7 mm -91.11 138.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 48' ' ' VAL . 63.0 t -142.22 144.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.5 ptm180 -148.96 118.06 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -108.23 145.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.487 ' NH1' ' CE2' ' A' ' 90' ' ' PHE . 20.7 ptt180 -140.63 142.9 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -76.76 97.57 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.09 139.0 58.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 p -134.2 152.14 77.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.727 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.57 10.53 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 mt -125.19 92.62 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.0 84.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.45 65.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.24 161.09 54.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.82 51.94 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.487 ' CE2' ' NH1' ' A' ' 80' ' ' ARG . 9.6 m-85 -63.32 143.83 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -64.15 155.64 78.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 134.59 28.48 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.24 119.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.0 m80 -105.92 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.64 111.22 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.7 m-85 -115.9 153.54 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp-105 -132.05 128.35 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.621 ' CG2' HD11 ' A' ' 26' ' ' LEU . 17.3 p -81.12 151.02 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.0 t -50.08 144.06 11.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.75 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.06 46.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -126.76 106.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.93 80.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -4.46 14.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 t -85.49 -60.3 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 95.1 p -67.76 -46.55 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -64.5 158.91 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -86.48 111.85 20.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.23 145.24 5.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -151.48 126.84 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -63.54 164.78 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 -45.05 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.62 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.71 84.23 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -95.86 99.39 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.7 tp -44.37 145.61 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 m -85.7 147.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.85 -38.69 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 30' ' ' TRP . 34.3 mt -137.69 121.35 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 m -146.69 119.35 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 78' ' ' ARG . 9.7 mt -76.22 134.14 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HE3' ' CG2' ' A' ' 29' ' ' THR . 4.7 pttp -129.97 147.27 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -78.91 102.32 8.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.693 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -80.38 -56.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' N ' HG12 ' A' ' 19' ' ' VAL . 33.5 tptt -128.13 118.92 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.27 103.55 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -124.22 159.05 58.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.473 ' N ' ' HB3' ' A' ' 99' ' ' SER . 53.8 Cg_endo -69.75 -29.35 24.08 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -129.31 30.66 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -167.87 148.22 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 98' ' ' THR . 16.4 mt -147.92 115.09 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' HD23 ' A' ' 28' ' ' LEU . 46.9 tt0 -106.24 137.1 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.705 HD11 HG21 ' A' ' 77' ' ' VAL . 4.4 mt -139.05 152.25 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.693 HG22 HG23 ' A' ' 19' ' ' VAL . 9.9 t -147.61 138.33 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.51 113.55 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 166.98 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.39 95.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -132.05 111.52 11.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 15.2 mtm180 -52.52 -59.31 8.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 53.8 Cg_endo -69.76 168.29 21.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -157.7 115.2 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 4.1 t-20 -124.49 134.08 25.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 97.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.98 120.95 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.23 153.61 24.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -129.55 96.77 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt -142.06 154.88 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 p -124.94 175.55 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -141.32 133.09 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.852 ' HB2' HD21 ' A' ' 82' ' ' LEU . 14.6 tt0 -99.6 121.05 40.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -105.35 129.43 53.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 19.3 t-160 -129.22 110.45 11.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.716 ' C ' HD12 ' A' ' 49' ' ' LEU . 96.6 t -103.43 124.88 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.746 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.72 159.42 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -151.38 172.65 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -38.42 -67.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.8 26.91 6.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -139.79 115.09 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.75 118.07 23.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -141.6 150.2 41.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -132.21 140.44 48.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -140.5 123.51 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -74.02 125.44 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.67 137.63 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -93.06 17.71 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.51 153.49 55.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.2 Cg_endo -69.8 1.29 4.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -119.42 138.25 53.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.48 136.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.502 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.1 tm? -114.36 113.78 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 65' ' ' LEU . 46.4 mt -103.04 132.82 49.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 74.7 p -127.24 177.93 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mttt 60.62 46.48 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD13 HD12 ' A' ' 26' ' ' LEU . 60.8 mt -103.48 165.14 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -100.5 141.2 22.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.68 43.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.7 46.85 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.1 m -133.2 147.85 52.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' PHE . 74.6 m -92.74 121.33 34.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -116.88 118.33 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.06 132.28 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.705 HG21 HD11 ' A' ' 28' ' ' LEU . 24.5 t -127.36 142.07 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.5 ptp180 -148.23 129.6 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.757 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 6.2 p -126.06 141.44 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -140.46 155.21 46.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.1 m -87.15 126.77 35.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -80.89 141.13 34.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 p -136.43 152.87 75.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.44 10.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.73 93.46 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.84 89.49 0.62 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.12 39.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.77 163.15 8.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.62 49.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -83.67 120.54 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -41.33 155.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.65 33.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -45.48 119.78 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 17.5 m80 -97.0 112.79 24.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.33 104.96 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.4 m-85 -119.56 154.0 34.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -136.11 137.49 41.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 26' ' ' LEU . 45.0 p -82.91 -176.74 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 23' ' ' PRO . 11.6 t -82.56 142.97 46.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.34 64.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 167.76 23.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 m -63.1 150.72 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.65 145.41 18.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 177.5 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -50.99 131.03 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.8 t -82.48 -47.6 12.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 38.5 m -110.77 -43.43 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 92.8 p 35.8 46.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.85 57.54 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -165.84 145.06 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -130.21 -44.8 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.34 157.13 7.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.54 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.85 155.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.21 -54.59 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -74.78 104.09 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD21 ' CD ' ' A' ' 92' ' ' PRO . 59.5 tp -122.97 73.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 t 39.98 35.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.38 63.36 1.62 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 50.5 mt -141.01 136.15 31.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.892 0.377 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p -146.21 105.2 3.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 78' ' ' ARG . 34.0 mt -70.75 108.32 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.85 131.18 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.456 HD21 ' HE3' ' A' ' 21' ' ' LYS . 60.9 tp -70.16 102.56 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.803 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -74.54 -63.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.62 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -129.98 135.15 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HE3' HD21 ' A' ' 18' ' ' LEU . 18.4 ttmt -109.58 110.66 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.34 156.8 60.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.703 0.763 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.72 14.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 12.6 mtp-105 -123.37 29.58 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' A' ' 65' ' ' LEU . 6.3 tt0 -163.73 162.09 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -154.23 120.72 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.6 tt0 -118.38 129.28 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 77' ' ' VAL . 8.9 mt -130.76 163.54 27.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 19' ' ' VAL . 11.6 t -150.23 127.42 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.8 p90 -123.34 111.3 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.46 119.21 24.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.37 -141.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -118.62 84.39 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -152.95 154.86 31.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 147.41 62.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.24 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -75.46 96.04 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -158.93 127.07 2.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 105.98 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.44 -66.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.84 -176.4 33.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -143.9 125.56 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 82' ' ' LEU . 9.0 mt -145.16 166.62 24.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 m -114.13 -175.82 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -153.36 140.65 19.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -99.75 121.1 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.479 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.47 130.71 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.492 ' CE1' HH21 ' A' ' 78' ' ' ARG . 6.6 t-160 -132.06 110.67 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.88 139.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 mp -130.86 123.96 30.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.464 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 39.2 t30 -111.33 -177.56 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' ASN . 11.7 mp0 -35.82 -66.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.01 5.76 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -118.31 116.99 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.9 121.62 37.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -137.76 137.44 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -116.17 149.84 38.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -145.88 121.0 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.59 117.09 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -111.13 151.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.54 -34.2 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -93.26 152.02 40.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 3.19 2.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -118.52 119.29 34.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.02 130.67 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -111.76 109.7 19.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 65' ' ' LEU . 7.2 mt -95.92 142.37 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -131.83 -175.92 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.2 mttp 51.03 44.03 28.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.62 173.63 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.37 143.23 26.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.15 69.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 17.8 t70 47.33 54.2 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -140.81 133.67 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 96' ' ' PHE . 49.2 m -76.27 128.62 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.464 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 67.9 m-85 -126.11 113.36 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mm -80.39 133.12 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.503 HG11 HD12 ' A' ' 28' ' ' LEU . 61.5 t -131.31 140.25 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.492 HH21 ' CE1' ' A' ' 47' ' ' HIS . 25.3 ptt180 -146.96 121.08 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.2 p -114.79 155.77 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -150.46 145.31 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -78.84 145.8 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.608 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -96.33 139.5 32.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 p -134.41 151.89 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.09 93.06 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.23 89.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.06 69.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.66 159.76 50.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.77 26.45 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -86.12 125.58 33.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -48.12 153.01 1.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.4 Cg_endo -69.7 136.99 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -40.52 121.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 37.8 m80 -103.98 107.32 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.37 107.03 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 74' ' ' THR . 43.2 m-85 -117.7 163.14 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -136.34 133.17 36.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 p -83.1 154.66 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 1.2 t -50.84 143.18 15.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 147.28 62.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.82 37.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' GLY . 26.9 t -122.36 -61.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' SER . . . -36.31 155.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 166.46 27.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.9 p -85.08 144.97 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -67.0 113.0 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -156.57 153.48 28.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -169.18 166.28 10.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.46 149.93 6.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -101.35 147.02 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -117.46 167.7 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.0 73.17 0.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.56 42.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.301 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -71.56 130.69 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -66.48 133.28 50.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD13 ' HG2' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -74.07 -66.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -120.78 37.6 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.02 50.67 7.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 mt -124.92 58.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -77.2 113.3 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.829 HD12 ' ND1' ' A' ' 94' ' ' HIS . 43.5 mt -64.96 99.66 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -90.43 136.82 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 21' ' ' LYS . 30.7 tp -93.56 87.1 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 ' CD ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -54.35 -67.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.608 ' H ' HG23 ' A' ' 19' ' ' VAL . 34.8 ttpt -126.47 139.39 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 18' ' ' LEU . 14.6 ttpp -112.75 98.89 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -107.34 154.63 40.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.19 34.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.0 -9.49 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -126.8 154.65 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 69' ' ' LEU . 11.8 mt -160.09 118.99 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.632 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.2 tt0 -116.56 149.99 38.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.615 ' CD1' HG11 ' A' ' 77' ' ' VAL . 7.9 mt -139.38 153.5 47.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -141.04 127.29 19.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.832 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.0 p90 -124.52 110.63 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.81 130.73 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.81 -91.74 2.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 44.7 t -139.42 117.66 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -37.08 143.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.54 54.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -69.62 -48.97 58.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 p30 -105.19 150.32 38.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.02 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.13 -146.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.74 -156.03 32.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -102.9 150.08 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -123.59 165.55 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -130.39 179.35 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -144.73 134.71 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.88 120.95 40.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.702 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -107.56 131.78 53.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 4.2 t-160 -128.92 113.94 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 77' ' ' VAL . 75.1 t -110.85 118.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -107.49 134.1 51.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -107.0 171.95 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 34.0 mt-30 -40.27 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -108.49 35.22 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -152.71 163.33 39.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -152.91 126.49 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -148.0 140.72 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -130.35 148.15 52.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -143.25 128.08 18.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttp -77.98 126.5 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.45 137.24 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.1 -30.8 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 150.45 44.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.83 3.41 2.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -133.68 126.33 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 65' ' ' LEU . 14.8 p -107.76 153.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -121.81 113.37 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.52 133.14 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -135.88 176.79 8.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 mttp 58.94 48.36 11.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 26' ' ' LEU . 52.6 mt -104.49 169.36 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -100.27 139.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.66 67.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t0 54.55 46.26 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 m -134.17 142.31 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 96' ' ' PHE . 50.1 m -87.55 129.41 35.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -126.77 123.31 37.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.4 mm -91.43 134.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.702 HG13 HD11 ' A' ' 46' ' ' LEU . 44.5 t -136.3 141.45 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -147.42 121.71 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.832 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 3.9 p -118.9 149.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -152.08 145.51 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.2 m -60.54 107.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.94 123.75 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 p -126.73 151.74 73.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.38 7.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.2 mt -125.42 92.58 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.75 68.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.84 52.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.77 162.82 53.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG2' HD13 ' A' ' 11' ' ' LEU . 53.4 Cg_endo -69.79 151.23 68.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 8.9 m-85 -73.96 137.04 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -61.05 158.15 36.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 134.75 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.289 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.8 117.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.829 ' ND1' HD12 ' A' ' 16' ' ' LEU . 30.6 m80 -99.31 113.37 25.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -74.95 108.81 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' THR . 48.3 m-85 -117.93 159.64 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -138.97 138.4 37.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -84.06 151.21 25.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.0 t -52.53 142.76 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.64 57.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.2 m -103.11 161.21 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.95 -75.18 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.435 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -3.41 11.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -76.12 122.3 24.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 m -39.0 127.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.548 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -45.13 140.41 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -42.16 -56.24 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.83 -126.98 24.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -116.27 88.66 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -131.17 158.32 40.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.01 82.83 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -43.5 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.73 97.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -173.61 139.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.32 -50.34 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.8 p -135.03 44.05 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.55 41.24 44.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 26.3 mt -120.05 68.09 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' LEU . 82.4 p -89.41 86.45 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' SER . 38.1 mt -36.09 103.22 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -96.91 136.48 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 21' ' ' LYS . 61.0 tp -86.79 99.45 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -76.03 -62.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.579 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.61 130.92 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HB2' HD21 ' A' ' 18' ' ' LEU . 32.3 ttpt -115.73 96.69 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -105.58 155.65 37.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.93 30.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -129.45 15.82 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 33.9 tt0 -158.02 159.16 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 13.5 mt -151.04 132.32 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 51.0 tt0 -131.68 121.86 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -118.68 171.13 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 29' ' ' THR . 13.8 t -153.47 116.66 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 34.4 p90 -118.6 108.36 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.24 -54.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 46.22 -104.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -114.39 140.69 48.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -123.13 140.42 33.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -100.04 77.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -167.98 143.74 3.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 128.34 15.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.47 177.06 23.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 -98.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -156.92 125.4 5.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.9 175.41 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.0 p -149.12 178.09 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.78 130.42 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -100.03 121.27 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.17 132.31 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.554 ' N ' HD13 ' A' ' 46' ' ' LEU . 20.6 t-160 -131.58 108.1 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 46' ' ' LEU . 89.3 t -104.11 139.45 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -125.05 130.04 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.546 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -100.78 170.39 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 16.9 mm-40 -37.65 -68.32 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.99 37.1 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -153.05 164.73 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -157.45 128.28 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -145.93 151.49 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -126.81 145.93 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -146.03 113.4 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' HD23 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -71.15 130.42 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.87 151.55 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 58' ' ' MET . 30.5 mt -93.33 -25.62 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.92 153.79 49.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.548 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.347 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -127.85 -177.08 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.402 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 8.9 p -164.0 136.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tm? -113.85 107.35 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.2 136.82 33.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -131.21 -175.59 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt 50.18 49.33 20.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.2 -175.22 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -118.91 143.51 33.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.91 51.67 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.9 m -137.26 137.49 39.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -83.64 119.83 25.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -118.91 113.98 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.0 mm -75.66 140.33 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 46' ' ' LEU . 20.3 t -141.1 136.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -143.97 127.37 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 2.3 p -126.25 168.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.514 ' H ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -165.44 -176.45 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -110.97 85.3 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -42.84 147.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 p -126.91 151.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 mt -125.11 97.07 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.75 85.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.05 47.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -96.54 175.39 31.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.21 25.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -95.95 129.96 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p -37.83 155.78 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.696 0.76 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.72 136.3 32.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -40.47 106.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.8 m80 -90.29 109.74 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 105.25 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 31.8 m-85 -120.48 146.42 46.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 18.5 ttm105 -132.68 136.41 46.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -81.94 158.54 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 143.17 24.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.37 64.91 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.44 14.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.5 p -46.3 158.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.16 145.99 14.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.96 52.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -111.96 80.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.1 p -81.32 165.39 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -130.05 42.17 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -80.24 110.71 15.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.65 0.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -110.3 107.56 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -160.28 162.06 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.24 -127.24 10.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.92 126.48 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.289 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.2 80.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.4 p -100.13 81.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' SER . 15.3 tp -88.99 49.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.9 m 38.05 37.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.0 75.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 80' ' ' ARG . 50.4 mt -147.6 150.45 34.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p -171.78 113.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 ' HE3' ' A' ' 30' ' ' TRP . 38.2 mt -72.28 145.19 48.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 2.4 ptpp? -140.05 156.71 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -92.65 110.66 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 t -104.85 -49.33 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 27' ' ' GLU . 6.3 ttmt -120.25 103.6 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -99.12 87.28 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.93 161.22 24.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.74 21.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.77 24.06 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.467 ' OE1' HD21 ' A' ' 65' ' ' LEU . 10.8 tt0 -160.93 148.4 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 13.3 mt -144.82 128.66 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' OE2' HD23 ' A' ' 65' ' ' LEU . 16.6 tt0 -124.24 126.28 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -127.66 165.35 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 t -150.31 138.21 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 30.7 p90 -127.81 107.86 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.11 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.85 88.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 p -130.45 102.96 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 54.4 mtt-85 -72.66 -60.64 1.93 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 53.5 Cg_endo -69.77 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.61 13.35 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.05 132.55 4.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.95 2.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.86 129.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.39 61.45 0.65 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -95.03 78.42 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -149.45 176.15 10.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -138.95 174.51 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -138.56 134.2 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 29.9 tt0 -100.34 120.94 40.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -104.42 134.76 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.466 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.0 t-160 -135.68 113.02 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.724 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -106.85 131.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 48' ' ' VAL . 2.6 mp -122.28 152.98 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.538 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -143.86 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 14.7 mm-40 -34.16 -63.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -127.56 28.73 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' ASN . 19.3 mt-10 -140.27 113.97 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.18 113.98 19.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 12.1 p90 -137.28 145.14 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.21 141.31 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.21 118.75 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -73.34 129.69 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.59 144.87 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -90.03 -25.86 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 1.2 pm0 -90.41 153.14 46.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.14 3.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.71 170.59 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.32 139.15 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.1 tm? -116.16 111.29 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 65' ' ' LEU . 43.0 mt -98.1 126.33 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.434 HG23 HD12 ' A' ' 65' ' ' LEU . 35.3 p -120.34 -178.23 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 54.15 46.98 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.76 -177.94 3.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -117.79 143.81 33.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.73 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t0 54.98 54.53 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.8 m -135.77 130.35 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.2 m -76.25 121.14 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 51.9 m-85 -123.07 123.7 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.57 137.46 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -133.94 150.28 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -157.48 126.23 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.667 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -121.97 147.65 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.535 ' HA ' HD13 ' A' ' 14' ' ' LEU . 12.4 ptt180 -144.29 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.464 ' OG1' HD11 ' A' ' 14' ' ' LEU . 88.6 m -83.15 106.54 15.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 10.0 mt -68.29 141.17 55.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 p -131.8 152.23 79.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.159 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.234 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.0 mt -125.02 92.91 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.24 84.63 0.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.37 67.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.44 169.39 54.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.13 17.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 m-85 -97.31 129.46 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -48.35 155.85 0.88 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.8 Cg_endo -69.79 136.3 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -42.21 112.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 47.4 m80 -94.37 107.7 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.9 109.19 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 42.0 m-85 -122.26 154.54 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -134.58 136.3 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.2 p -79.34 167.52 20.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -66.56 142.45 97.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.86 68.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 175.13 8.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.0 m -80.62 82.55 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 45.09 -157.72 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.62 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.8 t -118.14 119.76 35.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -100.81 41.62 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -73.03 0.93 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -150.85 158.18 43.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 110.9 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -119.8 109.28 15.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -84.96 42.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.55 138.35 6.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.79 127.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.37 96.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -78.65 100.27 6.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.5 141.95 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -57.04 11.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.24 47.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 80' ' ' ARG . 30.2 mt -120.98 60.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m -95.96 104.99 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 78' ' ' ARG . 11.3 mt -56.32 146.81 22.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 6.6 ptmt -137.13 156.89 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 21' ' ' LYS . 62.3 tp -94.18 95.47 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.65 HG23 HG22 ' A' ' 29' ' ' THR . 1.7 t -73.31 -55.43 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 19' ' ' VAL . 27.8 ttmt -132.89 125.12 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.3 ttpt -101.04 126.5 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -143.63 158.67 56.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.685 0.755 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.434 ' N ' ' HB2' ' A' ' 99' ' ' SER . 54.0 Cg_endo -69.79 -30.78 21.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -129.69 28.8 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -163.83 154.74 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -152.31 126.54 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 28' ' ' LEU . 37.7 tt0 -117.14 129.85 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.6 mt -136.3 156.61 48.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.65 HG22 HG23 ' A' ' 19' ' ' VAL . 7.6 t -146.52 134.84 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 41.9 p90 -127.72 112.7 15.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.65 -47.21 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.89 -176.92 17.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.7 t -62.67 -57.8 9.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.76 143.38 19.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 122.17 8.87 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -148.53 110.5 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -139.89 142.56 31.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -29.94 23.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.22 86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.69 93.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -44.04 161.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.04 179.85 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.562 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 18.4 m -99.04 174.83 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 43' ' ' SER . 15.7 m-85 -144.51 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -98.99 120.99 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -104.11 131.25 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.5 t60 -133.03 110.46 10.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -102.53 132.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.0 mp -123.33 114.18 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 13.0 t-20 -86.86 174.15 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.11 -45.44 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.04 6.9 9.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-10 -131.68 160.65 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.74 121.23 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p90 -148.18 145.54 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.5 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.65 125.9 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -81.01 128.47 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.27 158.3 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.05 -32.08 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -87.4 151.48 50.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 5.35 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -121.77 158.12 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.6 p -149.65 128.16 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -110.4 109.79 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.8 mt -96.82 138.8 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.5 p -130.69 175.64 8.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? 63.47 44.16 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.65 -176.55 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -120.15 142.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 143.36 50.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t0 63.04 41.17 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -128.03 139.66 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.4 m -88.92 125.98 35.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 74.9 m-85 -123.7 124.53 42.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.6 mm -90.76 132.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 46' ' ' LEU . 45.9 t -129.65 143.86 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.0 ptp180 -153.13 126.72 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.819 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.1 p -118.7 148.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -146.2 135.23 22.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -71.29 123.27 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -80.89 139.73 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.2 p -135.29 152.09 76.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.73 10.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.52 92.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.31 84.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.65 65.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.66 43.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 177.21 5.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.5 118.72 36.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -39.0 155.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.92 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -42.17 109.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.3 m80 -94.56 103.64 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -73.64 111.63 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 53.9 m-85 -117.49 155.8 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -129.4 131.52 46.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.4 p -81.96 172.19 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.434 ' HB2' ' N ' ' A' ' 23' ' ' PRO . 17.3 m -68.45 150.73 97.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.64 65.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -39.65 6.31 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.8 m -161.26 159.55 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -148.72 96.56 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -1.64 8.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -137.0 163.67 30.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.4 m -93.59 82.47 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.492 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -97.39 82.45 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -98.76 147.54 24.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.68 42.36 2.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -90.23 85.3 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -124.77 166.58 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.44 92.04 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.22 -61.63 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.733 0.301 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -96.57 39.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t -97.6 40.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 14' ' ' LEU . 11.3 tp -66.76 165.5 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -81.94 42.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 86.19 -48.71 3.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.69 ' O ' HD23 ' A' ' 11' ' ' LEU . 8.1 mt -33.12 133.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.332 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -155.13 111.81 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 78' ' ' ARG . 53.6 mt -71.51 125.45 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -127.18 130.68 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.4 tp -72.53 98.17 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.655 HG23 HG22 ' A' ' 29' ' ' THR . 1.8 t -74.94 -51.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -133.55 133.16 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.22 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 157.45 38.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.44 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -113.72 26.68 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -161.58 154.15 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 69' ' ' LEU . 29.7 mt -150.34 126.15 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -121.65 126.27 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.81 164.48 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.655 HG22 HG23 ' A' ' 19' ' ' VAL . 14.1 t -153.73 119.76 5.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.778 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -119.19 104.06 10.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.76 162.38 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.82 51.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -93.1 -57.63 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -149.03 140.82 14.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.67 5.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -110.76 174.59 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 8.0 t30 -58.69 140.61 85.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 37' ' ' ASN . 53.1 Cg_endo -69.79 178.24 4.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.672 2.248 . . . . 0.0 112.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.62 -108.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.07 -164.83 12.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -56.62 122.17 11.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.25 154.69 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -120.43 177.94 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -137.26 134.24 35.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -99.36 120.74 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.13 130.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.615 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.0 t-160 -131.06 113.78 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 84.5 t -107.82 132.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -122.67 158.74 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.528 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -148.1 169.54 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 66.8 mt-30 -34.09 -64.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.09 31.21 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.7 mm-40 -143.55 115.78 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HG3' ' HG ' ' A' ' 49' ' ' LEU . 2.9 tt0 -124.41 116.04 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 14.4 p90 -141.6 149.89 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -134.67 143.96 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.43 131.06 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -78.4 137.95 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.6 142.68 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.24 20.96 9.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -145.87 149.86 40.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.76 3.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -129.3 127.23 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.3 p -119.25 141.15 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.02 109.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.16 137.26 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 82.0 p -136.08 169.05 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 71.84 24.99 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 26' ' ' LEU . 8.4 mt -89.95 169.66 11.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -101.43 142.9 25.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.32 68.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.2 47.21 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -134.49 144.27 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 96' ' ' PHE . 88.9 m -94.08 123.05 37.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -119.86 122.85 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.21 135.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 46' ' ' LEU . 55.8 t -134.01 145.84 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.8 ptp85 -155.11 118.53 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.778 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.7 p -110.69 147.59 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' HA ' HD12 ' A' ' 14' ' ' LEU . 11.4 ptt180 -141.79 144.57 34.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.4 m -76.25 104.22 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.92 138.01 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 p -136.23 152.71 75.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.7 18.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.2 mt -125.26 92.46 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.37 82.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.41 59.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.17 163.26 42.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.44 14.4 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.398 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.1 126.52 36.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 p -45.92 154.8 0.55 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.689 0.756 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 54.1 Cg_endo -69.75 136.68 33.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' PRO . 4.1 p30 -35.91 120.29 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.4 m80 -108.38 103.63 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.58 108.84 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 24.7 m-85 -123.19 145.3 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -126.57 141.09 51.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.6 p -82.78 177.08 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -75.85 142.35 73.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.692 0.758 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.69 63.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.45 6.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -114.63 45.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.21 169.25 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 152.92 69.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.8 p -131.72 128.2 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.9 p -155.6 166.07 34.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -82.46 144.51 30.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -140.05 169.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.12 66.8 0.26 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -128.11 151.16 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -74.03 114.51 12.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.06 160.3 8.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.76 117.34 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -116.08 57.43 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -91.24 47.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.4 tp -82.17 154.55 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.09 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.64 77.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.7 mt -153.49 106.73 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 m -118.53 106.83 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.95 106.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -100.68 130.54 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 HD21 ' HE3' ' A' ' 21' ' ' LYS . 51.9 tp -77.68 98.66 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -65.24 -65.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.657 ' N ' HG12 ' A' ' 19' ' ' VAL . 42.2 tttp -148.9 112.05 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.822 ' HA ' HD23 ' A' ' 26' ' ' LEU . 7.8 ptpp? -84.31 155.43 22.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -149.54 161.45 31.68 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.724 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.89 25.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -130.71 19.82 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -162.72 163.64 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 21' ' ' LYS . 11.9 mt -155.4 124.63 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 77' ' ' VAL . 10.8 mt -133.11 163.91 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.613 HG22 HG23 ' A' ' 19' ' ' VAL . 13.3 t -152.43 128.66 10.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.704 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -128.83 113.75 15.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.48 124.45 36.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.61 93.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -113.39 68.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 mmm180 -53.35 -60.21 7.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 54.2 Cg_endo -69.75 -177.64 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.393 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -101.26 41.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -118.02 129.9 25.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -30.92 21.14 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.4 -119.12 3.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.21 -124.51 1.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.53 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -102.35 23.08 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.14 175.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 p -145.12 176.94 9.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.05 136.64 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.95 122.05 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -109.21 129.37 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.535 ' N ' HD13 ' A' ' 46' ' ' LEU . 12.7 t-160 -130.5 108.25 9.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 46' ' ' LEU . 58.5 t -104.27 135.42 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 49' ' ' LEU . 2.2 mp -121.73 126.01 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.514 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -98.17 168.16 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 61.7 mt-30 -35.26 -74.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -110.99 34.07 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -149.61 164.06 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -156.11 130.72 8.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.462 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 15.8 p90 -145.02 149.12 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.17 142.03 51.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -144.47 135.75 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.4 ttp -89.39 133.0 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.58 138.76 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.52 -23.13 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.71 154.74 45.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.67 2.88 3.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -129.99 176.64 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -156.88 145.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.14 106.79 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.06 135.99 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 p -136.22 175.77 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 62.43 45.91 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.81 179.16 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -107.48 139.67 20.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.722 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.83 51.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 17.9 t70 57.77 48.94 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.5 m -137.54 141.31 41.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 96' ' ' PHE . 77.9 m -80.23 132.23 35.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.51 121.54 27.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.23 137.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 46' ' ' LEU . 41.4 t -136.98 141.66 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -151.42 124.13 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.704 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.1 p -118.6 152.42 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.656 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 10.9 ptt180 -153.71 145.44 23.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -77.09 110.83 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.73 137.78 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -133.84 152.53 78.87 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.563 0.697 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -35.47 12.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.97 92.96 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.65 83.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.45 67.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.66 164.59 48.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.8 Cg_endo -69.79 157.83 59.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.0 m-85 -85.84 119.27 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' PHE . 16.7 p -37.59 153.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.705 0.764 . . . . 0.0 110.811 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' ASP . 53.5 Cg_endo -69.76 135.62 30.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' PRO . 1.5 p30 -37.58 99.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.7 m80 -90.53 104.91 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -67.68 136.84 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.9 m-85 -144.37 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -131.65 141.83 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.8 p -83.97 163.29 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -66.93 149.09 98.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.724 0.773 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 147.76 63.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.94 5.1 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.3 m -58.72 114.74 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -108.5 94.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.47 10.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 m 50.1 30.3 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -80.77 99.8 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -73.89 -51.79 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p 45.06 42.24 6.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 161.32 41.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -86.93 -62.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -92.43 148.21 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.37 138.42 5.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.26 118.71 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -168.2 163.78 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.463 ' OG ' HD23 ' A' ' 11' ' ' LEU . 80.6 p -81.84 -74.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 14' ' ' LEU . 1.2 pt? -140.72 -175.0 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.39 76.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 130.78 -121.91 3.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.734 ' CD1' HD21 ' A' ' 11' ' ' LEU . 5.0 mt 25.28 49.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 10.0 m -99.47 79.82 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 58.3 mt -33.92 120.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -116.62 137.12 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 21' ' ' LYS . 26.1 tp -93.35 85.8 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -58.13 -68.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' H ' HG23 ' A' ' 19' ' ' VAL . 32.8 ttmt -112.44 134.54 53.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' ' 18' ' ' LEU . 25.6 ttpp -111.46 89.81 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.3 153.34 38.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 98' ' ' THR . 54.0 Cg_endo -69.73 -16.64 37.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -126.94 -24.64 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -113.57 160.84 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' A' ' 98' ' ' THR . 8.0 mt -165.52 112.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.629 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 tt0 -108.84 150.7 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.5 mt -138.89 149.74 45.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -143.13 131.05 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.698 ' CE2' HG21 ' A' ' 79' ' ' VAL . 31.7 p90 -124.3 109.34 13.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.06 158.45 43.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.33 -161.85 26.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -64.59 159.18 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.64 145.86 38.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 9.06 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -127.64 145.93 56.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 177.21 5.83 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.75 -164.8 11.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.03 -82.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.499 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.19 53.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -73.07 153.97 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 m -123.17 177.41 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -141.81 135.75 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.94 122.64 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.82 128.42 54.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.4 t-160 -126.49 117.57 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -108.63 133.15 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 49' ' ' LEU . 1.5 mp -128.42 124.92 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' GLN . 58.7 t30 -112.29 178.94 4.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.2 tt0 -33.72 -63.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 3.48 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -116.52 113.69 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -122.52 114.94 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -131.6 129.08 40.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -108.62 154.93 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -153.9 127.36 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 ttp -78.19 126.69 31.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.72 142.88 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.08 -28.35 22.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 5.1 pt-20 -94.53 153.19 40.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.475 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 6.89 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 17.4 ptp180 -126.07 150.19 48.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 p -137.05 136.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -108.19 112.62 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -110.22 128.32 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.9 p -131.26 -174.8 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 56.65 44.42 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 14.2 mt -101.79 174.12 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -105.97 141.92 23.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.6 48.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t0 58.27 53.28 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -138.24 143.27 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -89.42 120.15 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 66.7 m-85 -117.87 124.16 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.4 mm -90.89 138.31 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.718 HG13 HD11 ' A' ' 46' ' ' LEU . 23.5 t -141.99 137.71 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' A' ' 16' ' ' LEU . 11.6 ptt180 -142.04 133.26 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CE2' ' A' ' 30' ' ' TRP . 8.5 p -123.57 146.94 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 15.2 ptt180 -149.09 142.18 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -72.03 107.36 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 82' ' ' LEU . 10.2 mt -67.6 141.94 56.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 p -133.11 152.02 78.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -40.23 5.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.6 mt -125.07 92.67 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.86 80.75 1.25 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.79 43.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.3 166.09 30.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.18 61.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 7.7 m-85 -80.15 144.2 33.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -63.01 156.27 68.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 134.8 28.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.86 105.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 16' ' ' LEU . 12.0 m80 -85.65 107.51 17.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.37 107.64 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 27.2 m-85 -120.32 144.17 47.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -129.2 136.8 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.466 HG22 ' HG ' ' A' ' 26' ' ' LEU . 16.7 p -82.35 145.32 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.4 t -43.89 142.21 2.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.762 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.08 56.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t 56.02 43.96 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.05 -165.24 50.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -45.52 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.6 p -167.5 133.94 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.5 m -126.52 132.45 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -164.82 160.69 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -74.37 104.81 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.77 -160.21 33.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -100.51 89.36 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -74.55 137.44 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.98 133.62 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.99 129.78 51.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -125.54 145.48 50.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -106.81 83.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tp -102.89 118.03 35.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -48.59 164.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.85 93.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -130.25 60.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -89.45 94.9 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 78' ' ' ARG . 20.4 mt -50.93 120.49 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.29 135.41 54.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD11 HD22 ' A' ' 26' ' ' LEU . 25.7 tp -84.51 97.26 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.35 -42.22 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 31.3 tptt -113.71 113.11 24.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB2' HD21 ' A' ' 18' ' ' LEU . 20.6 tttm -107.99 87.65 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -115.93 156.74 46.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -21.03 33.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.61 27.16 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -168.65 152.03 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.924 HD11 HG22 ' A' ' 98' ' ' THR . 41.9 mt -156.39 126.86 6.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 19' ' ' VAL . 34.7 tt0 -113.13 142.63 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 16' ' ' LEU . 15.7 mt -131.23 153.3 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -141.58 125.06 16.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.83 106.67 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.9 148.18 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.69 177.14 24.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 m -53.4 118.01 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -101.08 134.31 20.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 165.37 31.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -54.21 -49.13 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -135.86 105.56 9.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.98 104.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.09 144.0 15.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.62 94.38 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.14 160.26 32.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.513 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 69.7 m -117.85 176.32 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -137.61 133.03 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.7 tp10 -98.67 120.81 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -108.54 132.27 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' N ' HD13 ' A' ' 46' ' ' LEU . 6.9 t-160 -133.93 110.93 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.662 HG22 HG22 ' A' ' 77' ' ' VAL . 58.8 t -105.56 133.35 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -124.66 162.08 24.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLU . 34.1 t30 -150.89 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -48.31 -60.16 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 23.44 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' ASN . 57.5 mt-10 -136.88 115.49 12.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.64 116.04 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -138.8 154.7 48.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.529 ' HB3' ' CG ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -141.53 143.48 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -149.15 134.72 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 43' ' ' SER . 3.0 ttp -82.07 122.44 27.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.37 142.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.18 18.31 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -138.14 150.64 67.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.72 4.08 2.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -133.23 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.32 135.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.514 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -112.38 109.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.5 mt -95.2 140.07 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.2 p -133.57 177.84 7.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 59.54 47.66 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -107.4 168.71 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.57 141.58 22.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.69 33.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 62.11 54.95 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 m -141.48 135.85 30.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.1 m -75.99 125.85 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.94 121.73 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.5 mm -90.77 138.49 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 46' ' ' LEU . 58.3 t -139.98 148.95 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HA ' HD11 ' A' ' 16' ' ' LEU . 27.1 ptt180 -153.28 127.43 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.621 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.7 p -122.37 144.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 9.1 ptt180 -149.24 152.56 36.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -83.7 135.88 34.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 45' ' ' GLU . 4.1 mm? -83.05 145.84 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.41 ' HG1' ' C ' ' A' ' 86' ' ' GLY . 4.1 p -135.31 152.15 76.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.9 mt -125.42 95.78 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.41 ' C ' ' HG1' ' A' ' 83' ' ' THR . . . 80.72 91.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.63 51.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.59 160.89 23.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 144.98 55.63 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.2 m-85 -71.95 137.12 47.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -55.89 153.82 15.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.45 25.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -38.2 110.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.0 m80 -91.79 107.1 18.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -67.82 109.44 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.3 m-85 -119.27 151.07 39.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -129.55 122.58 29.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.924 HG22 HD11 ' A' ' 26' ' ' LEU . 72.4 p -68.96 166.62 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 t -64.45 132.35 95.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.84 63.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.32 19.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.6 m -55.94 126.74 27.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -81.35 176.08 54.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 86.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 t -122.66 -64.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.8 t -43.26 -59.46 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -82.26 160.11 23.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -96.16 156.72 16.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.68 148.86 8.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -124.65 -54.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -99.74 128.68 45.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.73 -68.82 3.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.79 77.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.66 -178.44 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -40.23 133.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp -104.4 169.17 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -84.5 53.63 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.31 37.14 31.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD11 ' OG1' ' A' ' 81' ' ' THR . 31.0 mt -130.91 53.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.356 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 p -92.82 112.33 24.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 78' ' ' ARG . 33.4 mt -63.33 146.51 53.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 5.9 ptmt -138.48 152.04 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.516 HD21 ' HE3' ' A' ' 21' ' ' LYS . 54.4 tp -89.0 97.37 11.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -69.63 -59.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.2 ttpt -136.14 126.14 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.516 ' HE3' HD21 ' A' ' 18' ' ' LEU . 13.3 ttmt -94.17 123.11 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -139.35 157.33 70.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.18 5.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -119.2 28.94 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 39.4 tt0 -163.06 154.14 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 69' ' ' LEU . 19.0 mt -152.32 115.49 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.9 tt0 -107.19 142.57 36.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -147.77 160.49 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 14.1 t -153.97 138.03 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.845 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 33.6 p90 -128.65 107.38 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.27 147.88 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.31 -117.81 0.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -40.44 152.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -159.59 143.65 10.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.3 8.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 37' ' ' ASN . 7.5 ptp85 -64.15 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 9.1 m-20 -125.82 143.54 45.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -29.65 23.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.28 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.77 -140.2 29.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.18 -172.69 34.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.83 113.52 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 82' ' ' LEU . 7.4 mt -104.23 173.43 6.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 1.3 p -127.96 -176.66 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -145.71 136.2 24.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.8 120.6 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.69 130.18 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.519 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.3 t-160 -130.77 106.07 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.784 ' C ' HD12 ' A' ' 49' ' ' LEU . 91.3 t -99.24 138.52 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -125.32 161.69 26.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.572 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 57.7 t30 -150.7 168.54 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -33.79 -64.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.07 26.03 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -140.92 115.47 9.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.32 127.59 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.4 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 7.3 p90 -147.57 140.98 25.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -127.85 152.67 47.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -150.61 135.08 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 2.1 ttp -82.32 119.53 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.0 143.12 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.5 -24.7 21.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.78 152.86 45.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.546 ' O ' ' CD2' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.79 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -123.88 166.12 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.43 HG12 ' HZ3' ' A' ' 30' ' ' TRP . 7.3 p -151.38 133.97 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.28 107.44 18.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.6 mt -93.73 129.61 40.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.0 p -130.99 173.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 mttp 61.43 42.79 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 26' ' ' LEU . 22.9 mt -98.84 -177.95 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.68 142.51 26.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 135.13 29.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 60.33 50.77 5.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.1 m -135.24 137.45 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.4 m -80.67 125.05 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 65.6 m-85 -123.06 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -90.68 140.2 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 46' ' ' LEU . 11.1 t -137.0 148.83 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.756 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.4 ptp85 -157.56 125.98 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.845 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.1 p -119.08 147.68 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 7.3 ptm180 -134.75 172.24 13.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.556 ' OG1' HD11 ' A' ' 14' ' ' LEU . 91.5 m -112.59 106.27 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 42' ' ' LEU . 3.6 mm? -55.76 145.64 23.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 81' ' ' THR . 1.2 p -152.53 153.68 30.82 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.564 0.697 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.15 17.19 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.64 2.227 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -125.29 93.89 4.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 87' ' ' PRO . . . 74.33 100.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 86' ' ' GLY . 53.9 Cg_endo -69.77 158.31 57.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' O ' ' NE ' ' A' ' 80' ' ' ARG . . . -62.26 150.34 46.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.56 10.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' ' HD2' ' A' ' 80' ' ' ARG . 8.2 m-85 -52.58 110.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -38.3 155.85 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.73 136.52 33.29 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -38.73 104.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 43.5 m80 -89.86 104.83 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 122.91 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 46.2 m-85 -133.7 145.9 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -124.16 133.52 53.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.535 ' CG2' HD11 ' A' ' 26' ' ' LEU . 19.5 p -80.24 165.65 22.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -64.32 142.32 98.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.59 63.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -12.93 33.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -102.95 -53.06 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -48.26 124.29 11.02 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.81 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.3 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.6 m -140.67 143.06 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.4 p -70.43 -49.66 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -107.31 -50.27 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 51.22 42.16 28.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.17 -145.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -102.16 114.23 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -139.48 121.78 15.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.29 55.44 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.17 79.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -113.5 94.0 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -101.96 40.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 14' ' ' LEU . 12.3 tp -52.98 141.23 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -77.33 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.31 49.24 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 80' ' ' ARG . 42.7 mt -122.76 64.74 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 p -87.91 104.57 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' ND1' ' A' ' 94' ' ' HIS . 12.5 mt -49.23 122.14 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.72 140.99 45.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 21' ' ' LYS . 58.0 tp -94.97 92.65 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 HG22 ' A' ' 29' ' ' THR . 1.6 t -67.4 -57.74 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.9 tttp -151.19 114.79 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.837 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.3 pttt -94.75 141.18 28.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -130.69 161.32 61.78 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.83 33.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -130.87 -4.42 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -138.93 169.17 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 21' ' ' LYS . 12.2 mt -156.8 116.52 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -108.26 113.78 27.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.07 162.0 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.675 HG22 HG23 ' A' ' 19' ' ' VAL . 13.9 t -153.86 125.78 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.827 ' CE2' HG21 ' A' ' 79' ' ' VAL . 19.2 p90 -112.79 105.98 14.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.46 48.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.78 73.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 m -158.42 145.83 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' NH2' ' NH1' ' A' ' 36' ' ' ARG . 11.6 ttt180 -67.48 140.61 94.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 34' ' ' ARG . 53.9 Cg_endo -69.83 1.28 4.62 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' NH1' ' NH2' ' A' ' 34' ' ' ARG . 19.7 mmm-85 -65.39 86.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -159.53 117.29 1.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.94 4.9 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.39 -91.33 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 54.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -130.0 92.51 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -143.55 159.47 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.7 m -117.03 175.32 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.09 135.82 32.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -99.68 123.16 43.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -108.91 135.26 50.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.6 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.7 t-160 -137.63 113.19 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.99 135.39 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.65 119.17 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -91.73 170.51 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 19.3 mm-40 -42.8 -70.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.06 26.17 10.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' ASN . 11.1 mm-40 -145.32 159.97 42.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.62 129.24 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -148.97 140.11 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -126.09 159.56 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -157.48 123.27 4.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -73.81 130.62 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.38 156.87 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.3 mt -101.56 -33.43 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.88 154.38 58.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 3.53 2.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.26 147.73 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.29 135.43 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD13 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.92 103.59 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mt -98.3 121.91 40.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 HD12 ' A' ' 65' ' ' LEU . 19.1 p -116.53 -178.41 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 mttt 55.76 46.57 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -106.26 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -119.5 142.27 32.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.54 65.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 45.6 52.06 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 m -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 m -84.21 119.36 24.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -121.44 136.91 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.45 125.69 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 46' ' ' LEU . 36.5 t -121.17 143.37 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -148.61 123.6 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 30' ' ' TRP . 9.8 p -124.56 143.19 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -147.1 144.81 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.5 m -72.2 125.53 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -87.3 138.26 31.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.6 p -135.79 152.12 75.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -34.62 14.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.5 mt -125.64 92.28 3.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.08 75.43 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.13 32.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.9 158.31 8.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -86.67 121.87 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -43.67 155.37 0.32 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.741 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.5 Cg_endo -69.74 134.88 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -40.17 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 58.8 m80 -95.21 109.08 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.91 110.53 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 57.2 m-85 -117.19 159.0 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -137.98 128.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -73.92 175.06 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -75.76 139.72 70.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 148.24 64.58 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.1 p -91.12 159.48 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.25 91.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -68.44 -54.17 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.4 t -78.97 120.11 23.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -147.59 143.33 27.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -83.64 150.46 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.3 61.73 1.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -108.38 82.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -158.72 169.04 25.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.88 3.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.05 91.82 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -85.71 145.83 27.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t -114.22 155.59 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tp -127.74 131.27 49.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -57.46 -54.46 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.69 53.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' A' ' 80' ' ' ARG . 58.2 mt -127.57 58.06 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 m -86.06 99.49 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.653 HD22 HD13 ' A' ' 28' ' ' LEU . 25.1 mt -51.39 112.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -100.56 133.05 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 21' ' ' LYS . 44.0 tp -84.16 92.59 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 20' ' ' LYS . 13.4 m -61.03 -55.86 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.611 ' H ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -138.3 138.0 37.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HB2' HD21 ' A' ' 18' ' ' LEU . 30.9 ttpt -109.58 90.45 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -104.48 158.29 32.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -32.32 18.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -126.22 29.37 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -165.8 143.74 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.794 HD11 ' CG2' ' A' ' 98' ' ' THR . 33.4 mt -157.69 115.47 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.75 ' O ' HD23 ' A' ' 28' ' ' LEU . 57.2 tt0 -109.71 158.38 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 27' ' ' GLU . 10.9 mt -144.99 149.12 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -139.02 119.11 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.901 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.0 p90 -116.11 103.98 11.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.01 131.63 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.57 106.83 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -167.42 110.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.566 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -81.03 -66.64 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 110.814 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 34' ' ' ARG . 53.7 Cg_endo -69.78 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.256 . . . . 0.0 112.354 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 37' ' ' ASN . 6.9 tmm_? -171.7 150.85 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 2.0 p-10 -95.82 142.73 24.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.25 63.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.32 167.42 12.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 137.95 3.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -50.64 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 82' ' ' LEU . 13.8 mt -133.19 151.62 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 m -125.65 174.82 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -135.96 135.91 39.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 82' ' ' LEU . 9.8 tp10 -98.78 120.9 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -110.82 130.64 55.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.663 ' CE1' HD11 ' A' ' 49' ' ' LEU . 13.7 t-160 -134.25 114.41 13.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG22 HG22 ' A' ' 77' ' ' VAL . 62.0 t -105.92 137.61 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -125.47 148.48 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 43.8 t30 -138.51 173.65 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.0 tt0 -33.89 -67.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -129.08 28.15 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -139.58 114.09 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.44 125.86 47.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 55' ' ' TRP . 1.4 p90 -148.46 135.24 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -122.56 147.21 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -146.65 127.85 14.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.8 125.5 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -114.33 144.74 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -87.19 -30.25 21.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -87.88 152.94 51.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -127.78 156.23 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.34 146.55 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.2 tm? -122.42 111.72 17.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.13 133.6 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -129.71 -179.79 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 56.77 45.01 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.89 -179.08 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.11 139.31 23.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.968 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.06 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 24.8 t70 59.73 49.97 7.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.8 m -137.13 131.2 32.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.8 m -72.75 128.96 37.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 40.3 m-85 -127.89 126.63 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.79 127.44 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HD11 ' A' ' 46' ' ' LEU . 46.0 t -128.58 138.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.701 ' O ' HD22 ' A' ' 46' ' ' LEU . 3.8 ptp180 -136.52 145.87 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.901 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -146.72 149.62 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.632 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -147.81 175.39 10.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.438 ' O ' ' NH2' ' A' ' 80' ' ' ARG . 27.4 m -109.25 97.19 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm? -46.1 153.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.9 154.63 80.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -39.15 6.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -125.51 106.4 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.7 94.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.22 59.48 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.438 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -76.34 176.79 51.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -110.91 129.98 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 p -40.62 155.9 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 135.93 31.53 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -43.09 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.4 m80 -82.11 107.68 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.18 106.33 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 41.8 m-85 -117.8 154.16 32.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -135.4 133.93 39.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.794 ' CG2' HD11 ' A' ' 26' ' ' LEU . 23.0 p -81.75 159.23 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -55.15 143.8 52.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.02 61.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.75 -179.18 2.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.0 t -62.54 120.15 10.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.12 119.53 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 164.25 35.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.7 t -111.32 97.57 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.0 t -53.08 -51.49 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -124.76 117.56 24.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -168.88 171.26 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.03 87.05 1.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -150.91 158.86 44.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -126.95 -45.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.18 157.9 8.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.82 115.65 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -86.36 177.53 7.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.1 t -43.97 136.63 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 14' ' ' LEU . 14.2 tp -173.71 135.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -56.41 -54.1 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.14 63.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.617 HD22 ' CD1' ' A' ' 30' ' ' TRP . 70.6 mt -137.1 159.61 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -165.08 114.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 28' ' ' LEU . 15.5 mt -76.82 115.45 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -108.77 135.15 50.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 21' ' ' LYS . 46.2 tp -84.08 90.42 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 20' ' ' LYS . 11.9 m -63.05 -55.35 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' H ' HG23 ' A' ' 19' ' ' VAL . 26.8 ttmt -124.19 137.44 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HG3' HD21 ' A' ' 18' ' ' LEU . 6.9 ttmm -113.19 83.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.55 155.6 39.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.21 28.93 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.756 2.304 . . . . 0.0 112.32 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -130.34 28.7 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -167.41 138.69 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD11 HG22 ' A' ' 98' ' ' THR . 48.1 mt -156.38 117.16 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HB2' HD22 ' A' ' 65' ' ' LEU . 39.6 tt0 -112.01 158.06 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 16' ' ' LEU . 13.0 mt -138.04 149.94 46.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.524 HG22 HG13 ' A' ' 19' ' ' VAL . 2.8 t -138.87 117.89 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 1.208 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 39.6 p90 -121.55 106.81 11.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.38 128.2 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.97 113.76 4.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -69.41 98.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -155.41 151.47 22.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.84 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -4.71 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -156.39 118.66 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -114.74 93.42 33.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.28 165.64 23.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.4 -79.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -82.44 38.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt -88.94 165.11 14.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -138.19 175.45 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.749 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.9 m-85 -145.83 139.94 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -101.96 121.17 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -106.11 136.04 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -135.66 117.65 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 77' ' ' VAL . 88.0 t -114.61 129.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 49' ' ' LEU . 4.7 mp -117.01 123.13 46.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -96.2 170.17 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 21.5 mt-30 -41.23 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.3 35.3 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -152.97 163.03 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -157.06 114.26 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -133.7 143.91 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -130.17 142.85 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -145.66 130.94 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.3 ttp -79.92 125.2 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.59 148.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.52 -22.55 22.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -111.56 153.5 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.74 1.58 4.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.45 117.75 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 135.55 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -108.66 107.83 18.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.29 127.01 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HD12 ' A' ' 65' ' ' LEU . 66.4 p -129.27 -178.23 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 mttt 57.24 41.32 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 mt -96.04 -176.19 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' N ' ' OH ' ' A' ' 75' ' ' TYR . 70.1 mt-30 -113.98 138.06 22.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.33 42.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 25.9 t70 60.08 49.75 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 51' ' ' GLN . 32.7 m -141.81 143.0 33.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.0 m -86.12 125.82 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' N ' ' A' ' 70' ' ' GLN . 65.5 m-85 -119.21 115.92 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mm -82.37 133.45 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 48' ' ' VAL . 32.1 t -137.81 148.88 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -151.75 128.14 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.208 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 9.2 p -125.31 142.92 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HE ' HD11 ' A' ' 82' ' ' LEU . 15.5 ptt180 -140.32 144.3 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.749 HG23 ' CE2' ' A' ' 44' ' ' TYR . 3.1 m -82.7 99.44 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 ' HE ' ' A' ' 80' ' ' ARG . 5.2 mp -66.73 165.97 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -147.57 161.09 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 53.7 Cg_endo -69.74 -23.33 31.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -126.02 91.44 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.84 100.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.91 41.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.0 173.76 27.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -111.02 130.4 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -46.4 155.76 0.54 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.0 Cg_endo -69.8 136.63 33.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -38.87 115.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 42.8 m80 -101.73 107.99 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.16 104.73 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.4 m-85 -112.13 144.2 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -123.37 140.66 52.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 26' ' ' LEU . 22.2 p -94.71 144.25 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -46.82 142.54 4.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.09 68.15 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 158.63 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -64.28 159.4 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.97 132.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.61 9.29 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.3 t -70.24 157.84 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.1 p -131.19 102.56 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -89.51 -56.53 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -81.68 171.88 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.77 -52.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -113.26 168.0 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.16 172.32 35.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.46 156.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -84.03 41.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -40.1 -53.25 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.59 146.78 2.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' GLY . 3.8 t -89.56 73.63 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 37.88 69.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.11 60.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -89.29 92.63 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.834 HD12 ' ND1' ' A' ' 94' ' ' HIS . 8.6 mt -46.2 163.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.27 156.55 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 21' ' ' LYS . 57.3 tp -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG13 ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.1 -72.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 19' ' ' VAL . 14.1 tptt -135.0 99.46 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.675 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.1 ptpt -72.36 138.22 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.66 153.98 81.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -14.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -131.57 -7.89 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 11.2 tt0 -138.88 168.2 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 21' ' ' LYS . 9.9 mt -161.97 113.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.626 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.5 tt0 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 27' ' ' GLU . 5.2 mt -149.27 155.31 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -150.53 129.21 12.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.852 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 24.5 p90 -119.8 105.1 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.89 -45.38 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.11 -164.05 42.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -125.87 81.22 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -166.75 129.76 1.46 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 108.08 2.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -101.65 158.31 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -62.46 151.75 82.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 1.96 4.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.02 -163.54 11.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.29 -46.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.1 m120 52.41 42.64 31.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.65 148.88 21.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 m -102.64 172.2 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -142.45 133.14 25.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -99.24 120.74 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -106.41 134.64 49.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.608 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.5 t-160 -136.12 119.4 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -114.02 131.75 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 49' ' ' LEU . 4.8 mp -121.29 153.72 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -141.53 170.55 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.551 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 10.3 mm100 -35.04 -63.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -129.74 33.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ASN . 66.7 mt-10 -145.9 117.43 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.11 122.2 37.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -146.19 139.19 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -121.78 149.07 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 66' ' ' LEU . 8.1 pt20 -145.94 119.53 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -75.87 132.31 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.6 143.1 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 mt -88.17 -18.93 27.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.87 153.64 39.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -123.71 131.91 53.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG11 ' HG ' ' A' ' 46' ' ' LEU . 9.2 p -125.88 142.07 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' A' ' 67' ' ' THR . 1.0 OUTLIER -114.96 110.95 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.532 HD23 ' OE1' ' A' ' 57' ' ' GLN . 14.9 mt -97.54 128.79 44.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 65' ' ' LEU . 53.9 p -125.05 175.02 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt 60.16 42.9 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 32.1 mt -102.27 169.64 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -107.57 139.14 20.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 47.76 42.6 15.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.8 m -135.03 141.37 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 m -91.28 113.04 25.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 78.6 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mm -67.84 142.2 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 28' ' ' LEU . 15.0 t -133.81 148.01 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -161.4 125.47 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.852 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.6 p -124.34 147.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -145.02 143.2 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -77.01 116.66 17.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.0 138.98 42.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 p -133.69 152.2 78.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.0 8.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.41 92.3 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.8 80.3 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 142.19 46.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.29 38.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.49 38.08 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' SER . 7.7 m-85 -83.66 119.74 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' PHE . 4.5 p -37.29 156.35 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.08 18.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.04 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.834 ' ND1' HD12 ' A' ' 16' ' ' LEU . 51.1 m80 -81.93 -176.93 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.1 114.99 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -127.74 139.94 52.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -131.13 148.5 52.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.7 p -94.2 149.99 20.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -51.98 151.75 6.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.79 63.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.34 24.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.8 t 61.99 41.59 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.23 -95.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 171.35 14.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.0 t -49.97 109.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.7 t -79.32 -56.64 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -151.63 111.58 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -101.6 129.93 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.94 75.57 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -38.52 -53.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -106.15 170.1 8.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.02 53.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.04 88.93 2.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -115.54 153.23 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -112.37 82.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' SER . 22.3 tp -112.44 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' LEU . 25.7 t -35.23 -53.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.77 82.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD11 ' H ' ' A' ' 81' ' ' THR . 63.0 mt -144.67 135.19 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -144.5 108.92 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 28' ' ' LEU . 27.4 mt -66.85 112.02 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -108.3 137.59 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 21' ' ' LYS . 45.3 tp -88.31 107.98 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -87.76 -44.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -133.64 129.63 37.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.699 ' HB2' HD21 ' A' ' 18' ' ' LEU . 34.8 ttpt -114.77 87.81 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -105.82 157.54 34.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.87 32.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -134.89 28.42 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -168.5 149.17 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 98' ' ' THR . 66.9 mt -156.6 126.37 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' VAL . 46.8 tt0 -116.91 142.44 46.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 16' ' ' LEU . 5.5 mt -133.26 154.14 50.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -140.14 127.02 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.941 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.2 p90 -126.93 104.15 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.1 107.39 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.88 -99.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -125.52 141.55 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 28.2 ttp180 -64.59 142.53 98.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 34' ' ' ARG . 54.1 Cg_endo -69.76 162.54 41.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.748 2.299 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -78.02 -52.25 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -98.94 120.29 58.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -178.14 2.2 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 98.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.72 83.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -67.94 129.99 41.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 82' ' ' LEU . 10.3 mt -122.17 162.2 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.423 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 7.1 p -117.17 -176.2 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.658 ' CE2' HG23 ' A' ' 81' ' ' THR . 10.1 m-85 -157.22 139.0 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.2 123.14 42.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -109.14 132.85 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.477 ' N ' HD13 ' A' ' 46' ' ' LEU . 21.5 t-160 -133.03 112.95 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' C ' HD12 ' A' ' 49' ' ' LEU . 82.5 t -107.97 137.15 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.737 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -124.97 147.61 48.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 75' ' ' TYR . 29.1 t30 -139.86 175.08 9.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -41.37 -61.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.91 20.77 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' ASN . 21.0 mt-10 -137.69 114.7 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -134.14 113.01 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -132.4 159.29 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.42 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -132.59 133.65 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.08 129.04 27.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -82.06 128.25 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.17 138.15 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.9 mt -79.7 -27.94 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -93.96 148.97 36.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.75 3.03 3.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -127.43 127.46 44.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.0 p -116.31 144.01 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -120.37 107.99 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -98.44 138.18 36.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 47.4 p -135.84 172.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 67' ' ' THR . 7.6 mmtm 71.55 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 mt -81.0 173.39 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.85 142.19 24.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 148.11 63.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 12.4 t70 50.63 50.16 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.9 m -138.54 129.68 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -72.78 121.97 20.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 50' ' ' ASN . 61.1 m-85 -118.98 119.18 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.7 mm -89.55 133.35 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 28' ' ' LEU . 27.6 t -136.05 137.37 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.9 ptp180 -138.12 121.11 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.941 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.1 p -116.09 146.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -148.39 136.54 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.7 m -77.23 128.39 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.532 ' O ' HD22 ' A' ' 42' ' ' LEU . 6.2 mp -88.42 162.33 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -144.62 161.65 42.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.688 . . . . 0.0 111.16 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 54.2 Cg_endo -69.66 -24.57 30.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.87 91.24 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.02 97.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HA ' HG23 ' A' ' 83' ' ' THR . 54.0 Cg_endo -69.72 140.75 43.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.17 166.14 6.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.38 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.48 138.44 36.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -60.11 155.23 46.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.75 33.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 119.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 22.5 m80 -102.61 107.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -68.03 105.92 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 38.6 m-85 -116.49 149.55 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -127.76 132.99 49.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.716 HG22 HD11 ' A' ' 26' ' ' LEU . 77.0 p -81.02 169.06 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -64.52 142.82 98.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.34 30.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 72' ' ' ASP . 53.5 Cg_endo -69.83 -26.53 27.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.5 p -149.74 133.8 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.7 135.79 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 127.0 13.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 0.0 112.315 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.1 m -73.16 166.93 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.3 m -98.09 -46.23 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -131.98 169.42 16.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -64.06 112.01 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 -44.75 0.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -118.98 41.95 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -52.19 -54.82 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.78 -141.7 12.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.88 101.49 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -158.35 108.21 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -124.2 175.93 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' SER . 15.9 tp -89.16 108.5 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' LEU . 15.0 t -34.53 -42.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 159.36 -42.55 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 13' ' ' GLY . 7.4 mt 32.41 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -95.4 101.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 HD13 ' A' ' 28' ' ' LEU . 14.6 mt -58.0 107.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -106.71 139.4 41.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.0 tp -85.84 95.06 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -81.83 -48.64 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -122.39 116.99 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.75 88.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -111.31 151.37 43.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.749 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -23.03 31.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -124.58 8.25 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -150.7 156.15 40.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 26' ' ' LEU . 9.0 mt -160.77 116.38 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.564 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.0 tt0 -106.57 147.07 29.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.7 mt -136.54 134.59 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 29' ' ' THR . 10.0 t -130.6 114.94 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.597 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.2 p90 -116.97 104.4 11.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.91 165.26 35.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.26 -61.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.5 p -117.52 144.16 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -109.04 121.18 43.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.636 0.732 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 132.26 22.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.9 39.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -165.96 120.48 0.91 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.04 61.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.72 121.78 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 123.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -108.63 143.47 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -141.28 151.39 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -118.72 174.19 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -132.14 139.91 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -100.8 121.27 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD11 HG13 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -107.38 134.26 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.7 t-160 -133.74 112.2 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 77' ' ' VAL . 63.9 t -106.49 136.89 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.652 HD11 ' NH1' ' A' ' 78' ' ' ARG . 2.9 mp -122.32 124.63 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -95.91 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 9.8 mm100 -40.79 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.03 32.64 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -151.35 163.06 39.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -152.92 126.95 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -140.91 150.13 42.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -128.68 150.03 50.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.34 128.62 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -81.61 131.99 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -118.98 140.89 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.19 19.65 10.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.19 153.67 53.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.68 2.85 3.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -129.64 130.19 45.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.49 136.03 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.26 108.75 20.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.5 124.33 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -121.28 179.08 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mttt 59.4 45.33 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.09 174.89 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -116.24 142.04 28.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 141.97 46.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 11.6 t0 59.48 50.89 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.4 m -141.58 138.66 32.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' PHE . 33.3 m -83.79 127.53 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -122.5 111.93 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.5 mm -84.99 138.77 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 48' ' ' VAL . 42.0 t -139.79 141.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.652 ' NH1' HD11 ' A' ' 49' ' ' LEU . 8.7 ptp85 -143.96 121.5 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.597 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.8 p -115.58 142.79 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -147.29 140.66 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -69.62 125.95 28.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.21 141.96 31.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -132.9 153.33 80.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.856 ' HG2' HD23 ' A' ' 85' ' ' LEU . 53.3 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.856 HD23 ' HG2' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -125.32 92.73 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.18 80.13 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.99 64.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 80' ' ' ARG . . . -68.76 164.32 49.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -82.42 127.57 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -46.61 156.08 0.54 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.761 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.93 29.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -39.33 109.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -91.16 101.81 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 112.35 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.0 m-85 -121.68 151.77 40.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.96 126.28 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 26' ' ' LEU . 60.7 p -79.11 151.01 31.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -53.86 153.29 8.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.38 63.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 157.75 59.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 t -64.95 -59.52 4.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.55 102.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.46 30.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -166.34 157.19 12.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 m -76.66 -56.77 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 28.8 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 78' ' ' ARG . 51.2 mt -37.41 139.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -131.81 143.26 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 28.2 tp -76.0 102.99 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 20' ' ' LYS . 2.0 t -73.47 -55.43 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 19' ' ' VAL . 36.8 ttpt -141.05 133.91 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -101.17 111.14 23.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -128.13 157.01 75.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -27.28 26.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -133.66 29.61 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -164.23 150.88 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' HG22 ' A' ' 98' ' ' THR . 11.4 mt -154.19 117.91 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 65' ' ' LEU . 21.2 tt0 -109.85 145.15 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -142.48 154.36 44.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -145.85 135.43 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.727 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.5 p90 -128.88 113.87 15.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 m -140.69 177.21 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -148.1 134.78 19.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HB2' HD21 ' A' ' 82' ' ' LEU . 11.5 tp10 -99.02 121.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -103.38 135.11 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.475 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.2 t-160 -136.86 113.43 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.739 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 67.2 t -106.31 138.49 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 49' ' ' LEU . 5.4 mp -129.33 141.34 51.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.07 176.12 7.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -43.99 -58.62 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.75 29.79 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -146.13 114.64 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 126.56 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.739 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 6.0 p90 -144.6 148.23 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -129.34 154.05 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -156.05 114.87 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -73.01 125.3 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.34 143.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -95.49 17.06 15.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.13 152.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.739 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 1.63 4.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -118.81 160.74 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -157.62 133.92 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -115.79 111.57 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.69 132.1 46.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -126.74 176.76 7.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt 61.08 41.96 13.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.59 165.31 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -95.75 141.34 23.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.68 51.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 13.8 t70 56.3 54.08 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 m -138.74 135.88 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.1 m -82.88 116.41 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -112.75 119.28 37.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.42 133.99 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 28' ' ' LEU . 20.5 t -130.21 144.44 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.3 ptm180 -152.39 121.32 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.727 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 11.4 p -116.94 144.52 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.447 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -140.63 134.27 30.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -69.44 132.16 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -85.69 142.37 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 p -141.26 152.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.68 12.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.8 mt -125.15 92.82 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.68 85.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.488 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.15 47.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.4 157.41 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.33 21.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 14.1 m-85 -87.29 115.47 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 p -40.49 155.18 0.19 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.63 33.42 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.87 109.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -90.62 104.82 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.24 107.38 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 23.7 m-85 -121.23 145.16 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -122.62 133.53 54.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 26' ' ' LEU . 74.8 p -77.19 164.74 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -65.18 143.73 98.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 148.43 64.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' A' ' 78' ' ' ARG . 18.2 mt -42.88 152.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.748 ' HD2' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.66 140.29 31.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.39 98.78 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 t -73.35 -57.78 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.67 134.98 48.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -106.77 99.2 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -117.2 155.17 50.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -121.06 29.28 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.442 HE21 HD21 ' A' ' 65' ' ' LEU . 11.2 tt0 -165.98 155.68 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 98' ' ' THR . 36.2 mt -155.87 121.18 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.8 tm-20 -116.72 133.7 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.7 mt -135.35 162.8 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 19' ' ' VAL . 11.1 t -151.0 137.14 18.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 22.9 p90 -126.01 110.01 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -115.19 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -148.71 136.66 20.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.04 120.97 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -107.05 134.11 50.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.587 ' N ' HD13 ' A' ' 46' ' ' LEU . 16.4 t-160 -133.68 116.96 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 77' ' ' VAL . 98.5 t -111.34 133.01 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.732 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -120.86 154.71 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 33.0 t30 -142.59 173.94 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -44.26 -54.93 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.28 21.44 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 57.4 mt-10 -141.54 114.49 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -128.46 122.04 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -135.81 158.11 45.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -133.14 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -149.94 122.51 8.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 ttp -77.69 120.53 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -109.34 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -97.89 21.37 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -148.59 154.43 41.07 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.667 0.746 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -119.35 142.07 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.76 133.03 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.442 HD21 HE21 ' A' ' 25' ' ' GLN . 2.0 tm? -113.94 112.13 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 69' ' ' LEU . 21.6 mt -98.76 123.54 43.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt 60.67 40.97 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 66' ' ' LEU . 25.7 mt -100.69 -175.9 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -119.43 144.11 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.56 69.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 46.6 46.72 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.4 m -127.54 134.29 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.9 m -79.79 120.68 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 56.0 m-85 -124.69 120.08 30.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.41 133.92 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 46' ' ' LEU . 51.5 t -132.43 143.2 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.8 ptp180 -153.68 122.9 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.3 p -115.3 144.55 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -141.19 132.85 27.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 m -70.01 125.75 27.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.73 138.99 33.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 p -133.59 152.09 78.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -36.73 10.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.09 92.87 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.56 84.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 151.44 68.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.55 54.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -91.63 120.51 32.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 p -40.12 155.01 0.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.2 Cg_endo -69.78 136.6 33.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -38.06 116.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 26.9 m80 -102.71 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.79 105.1 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.8 m-85 -112.74 146.01 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -127.96 126.44 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.72 HG22 HD11 ' A' ' 26' ' ' LEU . 64.8 p -71.16 164.43 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -60.46 142.89 90.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.716 0.769 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.08 55.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 28' ' ' LEU . 41.9 mt -74.63 102.66 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -97.69 131.59 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 26' ' ' LEU . 17.9 tp -82.78 109.2 16.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -45.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -109.14 104.94 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' CG ' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -99.72 79.28 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -110.99 157.67 38.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.16 20.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -124.87 28.1 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -167.41 148.24 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 20' ' ' LYS . 29.5 mt -156.99 130.18 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' HD22 ' A' ' 65' ' ' LEU . 61.7 tt0 -121.03 138.17 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 16' ' ' LEU . 26.2 mt -122.36 159.88 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -149.35 124.13 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 79' ' ' VAL . 35.3 p90 -126.37 103.94 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p -136.99 177.44 7.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -138.95 134.68 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -99.89 121.01 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.64 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -104.23 135.82 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.603 ' N ' HD13 ' A' ' 46' ' ' LEU . 16.1 t-160 -133.76 112.55 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 77' ' ' VAL . 90.6 t -109.11 131.79 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mp -125.43 155.44 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLU . 45.7 t30 -141.66 177.16 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -44.41 -58.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.3 30.01 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' ASN . 37.9 mt-10 -146.97 115.39 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -126.74 121.15 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.4 p90 -142.91 137.74 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.553 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -115.89 154.77 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -157.79 124.47 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -78.44 128.4 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.07 145.41 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.8 mt -85.04 -29.95 24.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 150.47 36.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.754 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.75 2.65 3.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.733 2.288 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -124.71 134.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.73 140.16 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -111.55 112.29 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.82 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.624 HG23 HD12 ' A' ' 65' ' ' LEU . 72.4 p -117.58 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt 62.65 41.29 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -101.32 162.46 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -92.62 142.1 25.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.11 56.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t70 54.64 51.52 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.8 m -137.13 129.82 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -73.51 133.43 43.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -131.66 121.69 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.7 mm -91.11 138.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 48' ' ' VAL . 63.0 t -142.22 144.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.5 ptm180 -148.96 118.06 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -108.23 145.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.487 ' NH1' ' CE2' ' A' ' 90' ' ' PHE . 20.7 ptt180 -140.63 142.9 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -76.76 97.57 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.09 139.0 58.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 p -134.2 152.14 77.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.727 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.57 10.53 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 mt -125.19 92.62 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.0 84.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.45 65.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.24 161.09 54.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.82 51.94 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.487 ' CE2' ' NH1' ' A' ' 80' ' ' ARG . 9.6 m-85 -63.32 143.83 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -64.15 155.64 78.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 134.59 28.48 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.24 119.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.0 m80 -105.92 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.64 111.22 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.7 m-85 -115.9 153.54 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp-105 -132.05 128.35 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.621 ' CG2' HD11 ' A' ' 26' ' ' LEU . 17.3 p -81.12 151.02 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.0 t -50.08 144.06 11.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.75 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.06 46.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 78' ' ' ARG . 9.7 mt -76.22 134.14 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HE3' ' CG2' ' A' ' 29' ' ' THR . 4.7 pttp -129.97 147.27 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -78.91 102.32 8.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.693 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -80.38 -56.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' N ' HG12 ' A' ' 19' ' ' VAL . 33.5 tptt -128.13 118.92 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.27 103.55 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -124.22 159.05 58.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.473 ' N ' ' HB3' ' A' ' 99' ' ' SER . 53.8 Cg_endo -69.75 -29.35 24.08 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -129.31 30.66 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -167.87 148.22 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 98' ' ' THR . 16.4 mt -147.92 115.09 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' HD23 ' A' ' 28' ' ' LEU . 46.9 tt0 -106.24 137.1 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.705 HD11 HG21 ' A' ' 77' ' ' VAL . 4.4 mt -139.05 152.25 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.693 HG22 HG23 ' A' ' 19' ' ' VAL . 9.9 t -147.61 138.33 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.51 113.55 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 p -124.94 175.55 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -141.32 133.09 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.852 ' HB2' HD21 ' A' ' 82' ' ' LEU . 14.6 tt0 -99.6 121.05 40.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -105.35 129.43 53.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 19.3 t-160 -129.22 110.45 11.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.716 ' C ' HD12 ' A' ' 49' ' ' LEU . 96.6 t -103.43 124.88 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.72 159.42 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -151.38 172.65 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -38.42 -67.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.8 26.91 6.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -139.79 115.09 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.75 118.07 23.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -141.6 150.2 41.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -132.21 140.44 48.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -140.5 123.51 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -74.02 125.44 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.67 137.63 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -93.06 17.71 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.51 153.49 55.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.2 Cg_endo -69.8 1.29 4.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -119.42 138.25 53.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.48 136.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 65' ' ' LEU . 1.1 tm? -114.36 113.78 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 65' ' ' LEU . 46.4 mt -103.04 132.82 49.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 74.7 p -127.24 177.93 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mttt 60.62 46.48 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD13 HD12 ' A' ' 26' ' ' LEU . 60.8 mt -103.48 165.14 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -100.5 141.2 22.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.68 43.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.7 46.85 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.1 m -133.2 147.85 52.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' PHE . 74.6 m -92.74 121.33 34.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -116.88 118.33 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.06 132.28 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.705 HG21 HD11 ' A' ' 28' ' ' LEU . 24.5 t -127.36 142.07 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.5 ptp180 -148.23 129.6 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.757 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 6.2 p -126.06 141.44 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -140.46 155.21 46.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.1 m -87.15 126.77 35.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -80.89 141.13 34.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 p -136.43 152.87 75.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.44 10.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.73 93.46 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.84 89.49 0.62 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.12 39.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.77 163.15 8.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.62 49.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -83.67 120.54 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -41.33 155.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.65 33.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -45.48 119.78 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 17.5 m80 -97.0 112.79 24.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.33 104.96 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.4 m-85 -119.56 154.0 34.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -136.11 137.49 41.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 26' ' ' LEU . 45.0 p -82.91 -176.74 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 23' ' ' PRO . 11.6 t -82.56 142.97 46.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.34 64.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 78' ' ' ARG . 34.0 mt -70.75 108.32 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.85 131.18 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.456 HD21 ' HE3' ' A' ' 21' ' ' LYS . 60.9 tp -70.16 102.56 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.803 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -74.54 -63.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.62 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -129.98 135.15 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HE3' HD21 ' A' ' 18' ' ' LEU . 18.4 ttmt -109.58 110.66 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.34 156.8 60.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.703 0.763 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.72 14.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 12.6 mtp-105 -123.37 29.58 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' A' ' 65' ' ' LEU . 6.3 tt0 -163.73 162.09 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -154.23 120.72 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.6 tt0 -118.38 129.28 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 77' ' ' VAL . 8.9 mt -130.76 163.54 27.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 19' ' ' VAL . 11.6 t -150.23 127.42 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.8 p90 -123.34 111.3 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.096 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 82' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 m -114.13 -175.82 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -153.36 140.65 19.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -99.75 121.1 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.479 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.47 130.71 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.492 ' CE1' HH21 ' A' ' 78' ' ' ARG . 6.6 t-160 -132.06 110.67 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.88 139.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 mp -130.86 123.96 30.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.464 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 39.2 t30 -111.33 -177.56 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' ASN . 11.7 mp0 -35.82 -66.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.01 5.76 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -118.31 116.99 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.9 121.62 37.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -137.76 137.44 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.538 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -116.17 149.84 38.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -145.88 121.0 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.59 117.09 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -111.13 151.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.54 -34.2 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -93.26 152.02 40.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 3.19 2.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -118.52 119.29 34.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.02 130.67 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -111.76 109.7 19.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 65' ' ' LEU . 7.2 mt -95.92 142.37 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -131.83 -175.92 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.2 mttp 51.03 44.03 28.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.62 173.63 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.37 143.23 26.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.15 69.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.8 t70 47.33 54.2 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -140.81 133.67 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 96' ' ' PHE . 49.2 m -76.27 128.62 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.464 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 67.9 m-85 -126.11 113.36 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mm -80.39 133.12 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.503 HG11 HD12 ' A' ' 28' ' ' LEU . 61.5 t -131.31 140.25 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.492 HH21 ' CE1' ' A' ' 47' ' ' HIS . 25.3 ptt180 -146.96 121.08 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.2 p -114.79 155.77 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.46 145.31 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -78.84 145.8 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.608 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -96.33 139.5 32.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 p -134.41 151.89 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.09 93.06 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.23 89.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.06 69.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.66 159.76 50.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.77 26.45 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -86.12 125.58 33.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -48.12 153.01 1.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.4 Cg_endo -69.7 136.99 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -40.52 121.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 37.8 m80 -103.98 107.32 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.37 107.03 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 74' ' ' THR . 43.2 m-85 -117.7 163.14 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -136.34 133.17 36.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 p -83.1 154.66 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 1.2 t -50.84 143.18 15.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 147.28 62.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.829 HD12 ' ND1' ' A' ' 94' ' ' HIS . 43.5 mt -64.96 99.66 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -90.43 136.82 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 21' ' ' LYS . 30.7 tp -93.56 87.1 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 ' CD ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -54.35 -67.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.608 ' H ' HG23 ' A' ' 19' ' ' VAL . 34.8 ttpt -126.47 139.39 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 18' ' ' LEU . 14.6 ttpp -112.75 98.89 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -107.34 154.63 40.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.19 34.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.0 -9.49 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -126.8 154.65 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 69' ' ' LEU . 11.8 mt -160.09 118.99 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.632 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.2 tt0 -116.56 149.99 38.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.615 ' CD1' HG11 ' A' ' 77' ' ' VAL . 7.9 mt -139.38 153.5 47.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -141.04 127.29 19.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.832 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.0 p90 -124.52 110.63 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 179.888 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -130.39 179.35 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -144.73 134.71 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.88 120.95 40.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.702 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -107.56 131.78 53.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 4.2 t-160 -128.92 113.94 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 77' ' ' VAL . 75.1 t -110.85 118.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -107.49 134.1 51.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -107.0 171.95 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 34.0 mt-30 -40.27 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -108.49 35.22 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -152.71 163.33 39.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -152.91 126.49 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -148.0 140.72 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -130.35 148.15 52.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -143.25 128.08 18.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttp -77.98 126.5 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.45 137.24 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.1 -30.8 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 150.45 44.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.83 3.41 2.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -133.68 126.33 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 65' ' ' LEU . 14.8 p -107.76 153.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -121.81 113.37 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.52 133.14 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -135.88 176.79 8.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 mttp 58.94 48.36 11.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 26' ' ' LEU . 52.6 mt -104.49 169.36 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -100.27 139.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.66 67.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t0 54.55 46.26 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 m -134.17 142.31 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 96' ' ' PHE . 50.1 m -87.55 129.41 35.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -126.77 123.31 37.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.4 mm -91.43 134.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.702 HG13 HD11 ' A' ' 46' ' ' LEU . 44.5 t -136.3 141.45 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -147.42 121.71 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.832 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 3.9 p -118.9 149.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -152.08 145.51 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.2 m -60.54 107.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.94 123.75 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 p -126.73 151.74 73.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.38 7.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.2 mt -125.42 92.58 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.75 68.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.84 52.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.77 162.82 53.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 151.23 68.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 8.9 m-85 -73.96 137.04 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -61.05 158.15 36.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 134.75 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.289 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.8 117.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.829 ' ND1' HD12 ' A' ' 16' ' ' LEU . 30.6 m80 -99.31 113.37 25.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -74.95 108.81 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' THR . 48.3 m-85 -117.93 159.64 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -138.97 138.4 37.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -84.06 151.21 25.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.0 t -52.53 142.76 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.64 57.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' LEU . 82.4 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' SER . 38.1 mt -36.09 103.22 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -96.91 136.48 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 21' ' ' LYS . 61.0 tp -86.79 99.45 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -76.03 -62.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.579 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.61 130.92 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HB2' HD21 ' A' ' 18' ' ' LEU . 32.3 ttpt -115.73 96.69 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -105.58 155.65 37.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.93 30.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -129.45 15.82 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 33.9 tt0 -158.02 159.16 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 13.5 mt -151.04 132.32 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 51.0 tt0 -131.68 121.86 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -118.68 171.13 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 29' ' ' THR . 13.8 t -153.47 116.66 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 34.4 p90 -118.6 108.36 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.0 p -149.12 178.09 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.78 130.42 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -100.03 121.27 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.17 132.31 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.554 ' N ' HD13 ' A' ' 46' ' ' LEU . 20.6 t-160 -131.58 108.1 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 46' ' ' LEU . 89.3 t -104.11 139.45 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -125.05 130.04 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.546 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -100.78 170.39 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 16.9 mm-40 -37.65 -68.32 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.99 37.1 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -153.05 164.73 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -157.45 128.28 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -145.93 151.49 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -126.81 145.93 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -146.03 113.4 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' HD23 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -71.15 130.42 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.87 151.55 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 58' ' ' MET . 30.5 mt -93.33 -25.62 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.92 153.79 49.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.548 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.347 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -127.85 -177.08 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.402 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 8.9 p -164.0 136.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tm? -113.85 107.35 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.2 136.82 33.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -131.21 -175.59 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt 50.18 49.33 20.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.2 -175.22 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -118.91 143.51 33.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.91 51.67 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.9 m -137.26 137.49 39.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -83.64 119.83 25.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -118.91 113.98 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.0 mm -75.66 140.33 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 46' ' ' LEU . 20.3 t -141.1 136.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -143.97 127.37 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 2.3 p -126.25 168.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.514 ' H ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -165.44 -176.45 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -110.97 85.3 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -42.84 147.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 p -126.91 151.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 mt -125.11 97.07 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.75 85.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.05 47.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -96.54 175.39 31.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.21 25.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -95.95 129.96 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p -37.83 155.78 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.696 0.76 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.72 136.3 32.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -40.47 106.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.8 m80 -90.29 109.74 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 105.25 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 31.8 m-85 -120.48 146.42 46.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 97' ' ' ARG . 18.5 ttm105 -132.68 136.41 46.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -81.94 158.54 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 143.17 24.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.37 64.91 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.918 0.389 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 ' HE3' ' A' ' 30' ' ' TRP . 38.2 mt -72.28 145.19 48.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 2.4 ptpp? -140.05 156.71 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -92.65 110.66 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 t -104.85 -49.33 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 27' ' ' GLU . 6.3 ttmt -120.25 103.6 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -99.12 87.28 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.93 161.22 24.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.74 21.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.77 24.06 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' A' ' 65' ' ' LEU . 12.0 tt0 -160.93 148.4 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 13.3 mt -144.82 128.66 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' OE2' HD23 ' A' ' 65' ' ' LEU . 16.6 tt0 -124.24 126.28 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -127.66 165.35 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 t -150.31 138.21 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 30.7 p90 -127.81 107.86 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -138.95 174.51 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -138.56 134.2 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 29.9 tt0 -100.34 120.94 40.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -104.42 134.76 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.466 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.0 t-160 -135.68 113.02 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.724 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -106.85 131.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 48' ' ' VAL . 2.6 mp -122.28 152.98 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.538 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -143.86 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 14.7 mm-40 -34.16 -63.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -127.56 28.73 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' ASN . 19.3 mt-10 -140.27 113.97 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.18 113.98 19.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 12.1 p90 -137.28 145.14 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.21 141.31 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.21 118.75 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -73.34 129.69 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.59 144.87 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -90.03 -25.86 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 1.2 pm0 -90.41 153.14 46.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.14 3.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.71 170.59 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.32 139.15 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 25' ' ' GLN . 1.1 tm? -116.16 111.29 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 65' ' ' LEU . 43.0 mt -98.1 126.33 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.434 HG23 HD12 ' A' ' 65' ' ' LEU . 35.3 p -120.34 -178.23 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 54.15 46.98 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.76 -177.94 3.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -117.79 143.81 33.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.73 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t0 54.98 54.53 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.8 m -135.77 130.35 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.2 m -76.25 121.14 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 51.9 m-85 -123.07 123.7 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.57 137.46 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -133.94 150.28 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -157.48 126.23 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.667 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -121.97 147.65 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.493 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 12.4 ptt180 -144.29 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -83.15 106.54 15.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 10.0 mt -68.29 141.17 55.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 p -131.8 152.23 79.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.159 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.234 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.0 mt -125.02 92.91 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.24 84.63 0.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.37 67.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.44 169.39 54.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.13 17.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 m-85 -97.31 129.46 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -48.35 155.85 0.88 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.8 Cg_endo -69.79 136.3 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -42.21 112.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 47.4 m80 -94.37 107.7 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.9 109.19 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 42.0 m-85 -122.26 154.54 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -134.58 136.3 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.2 p -79.34 167.52 20.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -66.56 142.45 97.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.86 68.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 78' ' ' ARG . 11.3 mt -56.32 146.81 22.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 6.6 ptmt -137.13 156.89 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 21' ' ' LYS . 62.3 tp -94.18 95.47 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.65 HG23 HG22 ' A' ' 29' ' ' THR . 1.7 t -73.31 -55.43 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 19' ' ' VAL . 27.8 ttmt -132.89 125.12 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.3 ttpt -101.04 126.5 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -143.63 158.67 56.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.685 0.755 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.434 ' N ' ' HB2' ' A' ' 99' ' ' SER . 54.0 Cg_endo -69.79 -30.78 21.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -129.69 28.8 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -163.83 154.74 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -152.31 126.54 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 28' ' ' LEU . 37.7 tt0 -117.14 129.85 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.6 mt -136.3 156.61 48.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.65 HG22 HG23 ' A' ' 19' ' ' VAL . 7.6 t -146.52 134.84 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 41.9 p90 -127.72 112.7 15.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.834 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.562 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 18.4 m -99.04 174.83 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 43' ' ' SER . 15.7 m-85 -144.51 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -98.99 120.99 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -104.11 131.25 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' N ' HD13 ' A' ' 46' ' ' LEU . 23.4 t-160 -133.03 110.46 10.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -102.53 132.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.0 mp -123.33 114.18 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 13.0 t-20 -86.86 174.15 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.11 -45.44 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.04 6.9 9.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-10 -131.68 160.65 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.74 121.23 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p90 -148.18 145.54 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -127.5 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -141.65 125.9 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -81.01 128.47 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.27 158.3 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.05 -32.08 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -87.4 151.48 50.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 5.35 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -121.77 158.12 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 64' ' ' VAL . 12.6 p -149.65 128.16 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -110.4 109.79 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.8 mt -96.82 138.8 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.5 p -130.69 175.64 8.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? 63.47 44.16 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.65 -176.55 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -120.15 142.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 143.36 50.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t0 63.04 41.17 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -128.03 139.66 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.4 m -88.92 125.98 35.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 74.9 m-85 -123.7 124.53 42.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.6 mm -90.76 132.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 46' ' ' LEU . 45.9 t -129.65 143.86 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.0 ptp180 -153.13 126.72 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.819 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.1 p -118.7 148.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -146.2 135.23 22.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -71.29 123.27 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -80.89 139.73 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.2 p -135.29 152.09 76.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.73 10.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.52 92.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.31 84.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.65 65.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.66 43.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 177.21 5.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.5 118.72 36.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -39.0 155.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.92 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -42.17 109.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.3 m80 -94.56 103.64 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -73.64 111.63 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 53.9 m-85 -117.49 155.8 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -129.4 131.52 46.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.4 p -81.96 172.19 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.434 ' HB2' ' N ' ' A' ' 23' ' ' PRO . 17.3 m -68.45 150.73 97.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.64 65.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.135 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 78' ' ' ARG . 53.6 mt -71.51 125.45 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -127.18 130.68 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.4 tp -72.53 98.17 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.655 HG23 HG22 ' A' ' 29' ' ' THR . 1.8 t -74.94 -51.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -133.55 133.16 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.22 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 157.45 38.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.44 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -113.72 26.68 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -161.58 154.15 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 69' ' ' LEU . 29.7 mt -150.34 126.15 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -121.65 126.27 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.81 164.48 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.655 HG22 HG23 ' A' ' 19' ' ' VAL . 14.1 t -153.73 119.76 5.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.778 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -119.19 104.06 10.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -120.43 177.94 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -137.26 134.24 35.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -99.36 120.74 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.13 130.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.615 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.0 t-160 -131.06 113.78 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 84.5 t -107.82 132.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -122.67 158.74 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.528 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -148.1 169.54 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 66.8 mt-30 -34.09 -64.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.09 31.21 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.7 mm-40 -143.55 115.78 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HG3' ' HG ' ' A' ' 49' ' ' LEU . 2.9 tt0 -124.41 116.04 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 14.4 p90 -141.6 149.89 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -134.67 143.96 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.43 131.06 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -78.4 137.95 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.6 142.68 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.24 20.96 9.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -145.87 149.86 40.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.76 3.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -129.3 127.23 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.3 p -119.25 141.15 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.02 109.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.16 137.26 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 82.0 p -136.08 169.05 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 71.84 24.99 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 26' ' ' LEU . 8.4 mt -89.95 169.66 11.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -101.43 142.9 25.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.32 68.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.2 47.21 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -134.49 144.27 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 96' ' ' PHE . 88.9 m -94.08 123.05 37.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -119.86 122.85 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.21 135.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 46' ' ' LEU . 55.8 t -134.01 145.84 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.8 ptp85 -155.11 118.53 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.778 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.7 p -110.69 147.59 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -141.79 144.57 34.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.4 m -76.25 104.22 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.92 138.01 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 p -136.23 152.71 75.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.7 18.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.2 mt -125.26 92.46 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.37 82.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.41 59.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.17 163.26 42.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.44 14.4 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.398 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.1 126.52 36.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 p -45.92 154.8 0.55 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.689 0.756 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 54.1 Cg_endo -69.75 136.68 33.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' PRO . 4.1 p30 -35.91 120.29 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.4 m80 -108.38 103.63 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.58 108.84 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 24.7 m-85 -123.19 145.3 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -126.57 141.09 51.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.6 p -82.78 177.08 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -75.85 142.35 73.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.692 0.758 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.69 63.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.95 106.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -100.68 130.54 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 HD21 ' HE3' ' A' ' 21' ' ' LYS . 51.9 tp -77.68 98.66 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -65.24 -65.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.657 ' N ' HG12 ' A' ' 19' ' ' VAL . 42.2 tttp -148.9 112.05 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.822 ' HA ' HD23 ' A' ' 26' ' ' LEU . 7.8 ptpp? -84.31 155.43 22.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -149.54 161.45 31.68 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.724 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.89 25.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -130.71 19.82 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -162.72 163.64 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 21' ' ' LYS . 11.9 mt -155.4 124.63 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 77' ' ' VAL . 10.8 mt -133.11 163.91 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.613 HG22 HG23 ' A' ' 19' ' ' VAL . 13.3 t -152.43 128.66 10.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.704 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -128.83 113.75 15.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.826 0.346 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 p -145.12 176.94 9.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.05 136.64 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.95 122.05 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -109.21 129.37 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.535 ' N ' HD13 ' A' ' 46' ' ' LEU . 12.7 t-160 -130.5 108.25 9.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 46' ' ' LEU . 58.5 t -104.27 135.42 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 49' ' ' LEU . 2.2 mp -121.73 126.01 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.514 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -98.17 168.16 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 61.7 mt-30 -35.26 -74.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -110.99 34.07 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -149.61 164.06 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -156.11 130.72 8.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.462 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 15.8 p90 -145.02 149.12 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.17 142.03 51.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -144.47 135.75 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.4 ttp -89.39 133.0 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.58 138.76 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.52 -23.13 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.71 154.74 45.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.67 2.88 3.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -129.99 176.64 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -156.88 145.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.14 106.79 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.06 135.99 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 p -136.22 175.77 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 62.43 45.91 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.81 179.16 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -107.48 139.67 20.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.722 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.83 51.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.9 t70 57.77 48.94 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.5 m -137.54 141.31 41.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 96' ' ' PHE . 77.9 m -80.23 132.23 35.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.51 121.54 27.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.23 137.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 46' ' ' LEU . 41.4 t -136.98 141.66 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -151.42 124.13 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.704 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.1 p -118.6 152.42 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.656 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 10.9 ptt180 -153.71 145.44 23.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -77.09 110.83 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.73 137.78 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -133.84 152.53 78.87 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.563 0.697 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -35.47 12.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.97 92.96 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.65 83.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.45 67.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.66 164.59 48.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.83 59.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.0 m-85 -85.84 119.27 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' PHE . 16.7 p -37.59 153.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.705 0.764 . . . . 0.0 110.811 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' ASP . 53.5 Cg_endo -69.76 135.62 30.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' PRO . 1.5 p30 -37.58 99.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.7 m80 -90.53 104.91 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -67.68 136.84 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.9 m-85 -144.37 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -131.65 141.83 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.8 p -83.97 163.29 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -66.93 149.09 98.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.724 0.773 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 147.76 63.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.316 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' LEU . 10.0 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 58.3 mt -33.92 120.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -116.62 137.12 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 21' ' ' LYS . 26.1 tp -93.35 85.8 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -58.13 -68.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' H ' HG23 ' A' ' 19' ' ' VAL . 32.8 ttmt -112.44 134.54 53.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' ' 18' ' ' LEU . 25.6 ttpp -111.46 89.81 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.3 153.34 38.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 98' ' ' THR . 54.0 Cg_endo -69.73 -16.64 37.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -126.94 -24.64 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -113.57 160.84 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' A' ' 98' ' ' THR . 8.0 mt -165.52 112.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.629 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 tt0 -108.84 150.7 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.5 mt -138.89 149.74 45.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -143.13 131.05 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.698 ' CE2' HG21 ' A' ' 79' ' ' VAL . 31.7 p90 -124.3 109.34 13.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 m -123.17 177.41 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -141.81 135.75 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.94 122.64 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.82 128.42 54.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.4 t-160 -126.49 117.57 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -108.63 133.15 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 49' ' ' LEU . 1.5 mp -128.42 124.92 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' GLN . 58.7 t30 -112.29 178.94 4.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.2 tt0 -33.72 -63.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 3.48 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -116.52 113.69 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -122.52 114.94 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -131.6 129.08 40.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -108.62 154.93 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -153.9 127.36 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 ttp -78.19 126.69 31.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.72 142.88 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.08 -28.35 22.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 5.1 pt-20 -94.53 153.19 40.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.475 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 6.89 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 17.4 ptp180 -126.07 150.19 48.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 p -137.05 136.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -108.19 112.62 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -110.22 128.32 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.9 p -131.26 -174.8 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 56.65 44.42 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 14.2 mt -101.79 174.12 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -105.97 141.92 23.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.6 48.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t0 58.27 53.28 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -138.24 143.27 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -89.42 120.15 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 66.7 m-85 -117.87 124.16 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.4 mm -90.89 138.31 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.718 HG13 HD11 ' A' ' 46' ' ' LEU . 23.5 t -141.99 137.71 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' A' ' 16' ' ' LEU . 11.6 ptt180 -142.04 133.26 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CE2' ' A' ' 30' ' ' TRP . 8.5 p -123.57 146.94 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 15.2 ptt180 -149.09 142.18 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -72.03 107.36 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 82' ' ' LEU . 10.2 mt -67.6 141.94 56.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 p -133.11 152.02 78.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -40.23 5.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.6 mt -125.07 92.67 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.86 80.75 1.25 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.79 43.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.3 166.09 30.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.18 61.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 7.7 m-85 -80.15 144.2 33.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -63.01 156.27 68.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 134.8 28.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.86 105.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 16' ' ' LEU . 12.0 m80 -85.65 107.51 17.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.37 107.64 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 27.2 m-85 -120.32 144.17 47.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -129.2 136.8 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.466 HG22 ' HG ' ' A' ' 26' ' ' LEU . 16.7 p -82.35 145.32 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.4 t -43.89 142.21 2.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.762 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.08 56.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 78' ' ' ARG . 20.4 mt -50.93 120.49 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.29 135.41 54.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD11 HD22 ' A' ' 26' ' ' LEU . 25.7 tp -84.51 97.26 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.35 -42.22 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 31.3 tptt -113.71 113.11 24.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB2' HD21 ' A' ' 18' ' ' LEU . 20.6 tttm -107.99 87.65 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -115.93 156.74 46.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -21.03 33.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.61 27.16 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' NE2' HD21 ' A' ' 65' ' ' LEU . 24.2 tt0 -168.65 152.03 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.924 HD11 HG22 ' A' ' 98' ' ' THR . 41.9 mt -156.39 126.86 6.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 19' ' ' VAL . 34.7 tt0 -113.13 142.63 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 16' ' ' LEU . 15.7 mt -131.23 153.3 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -141.58 125.06 16.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.83 106.67 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.513 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 69.7 m -117.85 176.32 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -137.61 133.03 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.7 tp10 -98.67 120.81 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -108.54 132.27 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' N ' HD13 ' A' ' 46' ' ' LEU . 6.9 t-160 -133.93 110.93 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.662 HG22 HG22 ' A' ' 77' ' ' VAL . 58.8 t -105.56 133.35 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -124.66 162.08 24.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLU . 34.1 t30 -150.89 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -48.31 -60.16 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 23.44 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' ASN . 57.5 mt-10 -136.88 115.49 12.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.64 116.04 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -138.8 154.7 48.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.529 ' HB3' ' CG ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -141.53 143.48 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -149.15 134.72 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 43' ' ' SER . 3.0 ttp -82.07 122.44 27.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.37 142.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.18 18.31 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -138.14 150.64 67.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.72 4.08 2.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -133.23 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.32 135.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.541 HD21 ' NE2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -112.38 109.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.5 mt -95.2 140.07 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.2 p -133.57 177.84 7.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 59.54 47.66 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -107.4 168.71 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.57 141.58 22.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.69 33.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 62.11 54.95 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 m -141.48 135.85 30.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.1 m -75.99 125.85 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.94 121.73 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.5 mm -90.77 138.49 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 46' ' ' LEU . 58.3 t -139.98 148.95 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HA ' HD11 ' A' ' 16' ' ' LEU . 27.1 ptt180 -153.28 127.43 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.621 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.7 p -122.37 144.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 9.1 ptt180 -149.24 152.56 36.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -83.7 135.88 34.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 45' ' ' GLU . 4.1 mm? -83.05 145.84 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.41 ' HG1' ' C ' ' A' ' 86' ' ' GLY . 4.1 p -135.31 152.15 76.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.9 mt -125.42 95.78 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.41 ' C ' ' HG1' ' A' ' 83' ' ' THR . . . 80.72 91.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.63 51.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.59 160.89 23.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 144.98 55.63 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.2 m-85 -71.95 137.12 47.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -55.89 153.82 15.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.45 25.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -38.2 110.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.0 m80 -91.79 107.1 18.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -67.82 109.44 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.3 m-85 -119.27 151.07 39.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -129.55 122.58 29.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.924 HG22 HD11 ' A' ' 26' ' ' LEU . 72.4 p -68.96 166.62 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 t -64.45 132.35 95.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.84 63.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 78' ' ' ARG . 33.4 mt -63.33 146.51 53.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 5.9 ptmt -138.48 152.04 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.516 HD21 ' HE3' ' A' ' 21' ' ' LYS . 54.4 tp -89.0 97.37 11.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -69.63 -59.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.2 ttpt -136.14 126.14 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.516 ' HE3' HD21 ' A' ' 18' ' ' LEU . 13.3 ttmt -94.17 123.11 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -139.35 157.33 70.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.18 5.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -119.2 28.94 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 39.4 tt0 -163.06 154.14 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 69' ' ' LEU . 19.0 mt -152.32 115.49 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.9 tt0 -107.19 142.57 36.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -147.77 160.49 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 14.1 t -153.97 138.03 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.845 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 33.6 p90 -128.65 107.38 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 82' ' ' LEU . 7.4 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 1.3 p -127.96 -176.66 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -145.71 136.2 24.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.8 120.6 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.69 130.18 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.519 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.3 t-160 -130.77 106.07 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.784 ' C ' HD12 ' A' ' 49' ' ' LEU . 91.3 t -99.24 138.52 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -125.32 161.69 26.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.572 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 57.7 t30 -150.7 168.54 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -33.79 -64.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.07 26.03 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -140.92 115.47 9.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.32 127.59 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.4 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 7.3 p90 -147.57 140.98 25.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -127.85 152.67 47.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -150.61 135.08 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 2.1 ttp -82.32 119.53 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.0 143.12 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.5 -24.7 21.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.78 152.86 45.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.546 ' O ' ' CD2' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.79 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -123.88 166.12 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.43 HG12 ' HZ3' ' A' ' 30' ' ' TRP . 7.3 p -151.38 133.97 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.28 107.44 18.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.6 mt -93.73 129.61 40.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.0 p -130.99 173.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 mttp 61.43 42.79 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 26' ' ' LEU . 22.9 mt -98.84 -177.95 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.68 142.51 26.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 135.13 29.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 60.33 50.77 5.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.1 m -135.24 137.45 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.4 m -80.67 125.05 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 65.6 m-85 -123.06 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -90.68 140.2 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 46' ' ' LEU . 11.1 t -137.0 148.83 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.756 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.4 ptp85 -157.56 125.98 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.845 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.1 p -119.08 147.68 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 7.3 ptm180 -134.75 172.24 13.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 83' ' ' THR . 91.5 m -112.59 106.27 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 42' ' ' LEU . 3.6 mm? -55.76 145.64 23.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 81' ' ' THR . 1.2 p -152.53 153.68 30.82 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.564 0.697 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.15 17.19 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.64 2.227 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -125.29 93.89 4.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 87' ' ' PRO . . . 74.33 100.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 86' ' ' GLY . 53.9 Cg_endo -69.77 158.31 57.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.478 ' O ' ' NE ' ' A' ' 80' ' ' ARG . . . -62.26 150.34 46.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.56 10.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' ' HD2' ' A' ' 80' ' ' ARG . 8.2 m-85 -52.58 110.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -38.3 155.85 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.73 136.52 33.29 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -38.73 104.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 43.5 m80 -89.86 104.83 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 122.91 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 46.2 m-85 -133.7 145.9 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -124.16 133.52 53.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.535 ' CG2' HD11 ' A' ' 26' ' ' LEU . 19.5 p -80.24 165.65 22.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -64.32 142.32 98.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.59 63.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' ND1' ' A' ' 94' ' ' HIS . 12.5 mt -49.23 122.14 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.72 140.99 45.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 21' ' ' LYS . 58.0 tp -94.97 92.65 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 HG22 ' A' ' 29' ' ' THR . 1.6 t -67.4 -57.74 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.9 tttp -151.19 114.79 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.837 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.3 pttt -94.75 141.18 28.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -130.69 161.32 61.78 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.83 33.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -130.87 -4.42 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -138.93 169.17 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 21' ' ' LYS . 12.2 mt -156.8 116.52 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -108.26 113.78 27.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.07 162.0 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.675 HG22 HG23 ' A' ' 19' ' ' VAL . 13.9 t -153.86 125.78 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.827 ' CE2' HG21 ' A' ' 79' ' ' VAL . 19.2 p90 -112.79 105.98 14.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.7 m -117.03 175.32 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.09 135.82 32.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -99.68 123.16 43.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -108.91 135.26 50.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.6 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.7 t-160 -137.63 113.19 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.99 135.39 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.65 119.17 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -91.73 170.51 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 19.3 mm-40 -42.8 -70.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.06 26.17 10.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' ASN . 11.1 mm-40 -145.32 159.97 42.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.62 129.24 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -148.97 140.11 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -126.09 159.56 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -157.48 123.27 4.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -73.81 130.62 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.38 156.87 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.3 mt -101.56 -33.43 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.88 154.38 58.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 3.53 2.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.26 147.73 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.29 135.43 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD13 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.92 103.59 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mt -98.3 121.91 40.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 HD12 ' A' ' 65' ' ' LEU . 19.1 p -116.53 -178.41 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 mttt 55.76 46.57 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -106.26 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -119.5 142.27 32.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.54 65.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 45.6 52.06 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 m -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 m -84.21 119.36 24.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -121.44 136.91 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.45 125.69 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 46' ' ' LEU . 36.5 t -121.17 143.37 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -148.61 123.6 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 30' ' ' TRP . 9.8 p -124.56 143.19 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.1 144.81 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.5 m -72.2 125.53 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -87.3 138.26 31.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.6 p -135.79 152.12 75.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -34.62 14.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.5 mt -125.64 92.28 3.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.08 75.43 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.13 32.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.9 158.31 8.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -86.67 121.87 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -43.67 155.37 0.32 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.741 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.5 Cg_endo -69.74 134.88 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -40.17 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 58.8 m80 -95.21 109.08 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.91 110.53 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 57.2 m-85 -117.19 159.0 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -137.98 128.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -73.92 175.06 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -75.76 139.72 70.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 148.24 64.58 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.96 0.409 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.653 HD22 HD13 ' A' ' 28' ' ' LEU . 25.1 mt -51.39 112.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -100.56 133.05 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 21' ' ' LYS . 44.0 tp -84.16 92.59 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 20' ' ' LYS . 13.4 m -61.03 -55.86 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.611 ' H ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -138.3 138.0 37.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HB2' HD21 ' A' ' 18' ' ' LEU . 30.9 ttpt -109.58 90.45 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -104.48 158.29 32.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -32.32 18.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -126.22 29.37 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -165.8 143.74 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.794 HD11 ' CG2' ' A' ' 98' ' ' THR . 33.4 mt -157.69 115.47 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.75 ' O ' HD23 ' A' ' 28' ' ' LEU . 57.2 tt0 -109.71 158.38 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 27' ' ' GLU . 10.9 mt -144.99 149.12 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -139.02 119.11 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.901 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.0 p90 -116.11 103.98 11.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 82' ' ' LEU . 13.8 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 m -125.65 174.82 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -135.96 135.91 39.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 82' ' ' LEU . 9.8 tp10 -98.78 120.9 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -110.82 130.64 55.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' CE1' HD11 ' A' ' 49' ' ' LEU . 13.7 t-160 -134.25 114.41 13.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG22 HG22 ' A' ' 77' ' ' VAL . 62.0 t -105.92 137.61 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -125.47 148.48 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 43.8 t30 -138.51 173.65 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.0 tt0 -33.89 -67.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -129.08 28.15 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -139.58 114.09 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.44 125.86 47.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.441 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 1.4 p90 -148.46 135.24 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.526 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -122.56 147.21 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -146.65 127.85 14.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.8 125.5 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -114.33 144.74 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -87.19 -30.25 21.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -87.88 152.94 51.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -127.78 156.23 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.34 146.55 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.2 tm? -122.42 111.72 17.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.13 133.6 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -129.71 -179.79 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 56.77 45.01 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.89 -179.08 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.11 139.31 23.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.968 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.06 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 24.8 t70 59.73 49.97 7.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.8 m -137.13 131.2 32.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.8 m -72.75 128.96 37.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 40.3 m-85 -127.89 126.63 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.79 127.44 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HD11 ' A' ' 46' ' ' LEU . 46.0 t -128.58 138.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.701 ' O ' HD22 ' A' ' 46' ' ' LEU . 3.8 ptp180 -136.52 145.87 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.901 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -146.72 149.62 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.466 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -147.81 175.39 10.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.438 ' O ' ' NH2' ' A' ' 80' ' ' ARG . 27.4 m -109.25 97.19 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm? -46.1 153.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.9 154.63 80.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -39.15 6.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -125.51 106.4 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.7 94.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.22 59.48 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.438 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -76.34 176.79 51.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -110.91 129.98 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 p -40.62 155.9 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 135.93 31.53 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -43.09 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.4 m80 -82.11 107.68 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.18 106.33 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 41.8 m-85 -117.8 154.16 32.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -135.4 133.93 39.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.794 ' CG2' HD11 ' A' ' 26' ' ' LEU . 23.0 p -81.75 159.23 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -55.15 143.8 52.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.02 61.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 72' ' ' ASP . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 28' ' ' LEU . 15.5 mt -76.82 115.45 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -108.77 135.15 50.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 21' ' ' LYS . 46.2 tp -84.08 90.42 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 20' ' ' LYS . 11.9 m -63.05 -55.35 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' H ' HG23 ' A' ' 19' ' ' VAL . 26.8 ttmt -124.19 137.44 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HG3' HD21 ' A' ' 18' ' ' LEU . 6.9 ttmm -113.19 83.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.55 155.6 39.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.21 28.93 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.756 2.304 . . . . 0.0 112.32 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -130.34 28.7 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.608 HE21 HD11 ' A' ' 65' ' ' LEU . 48.7 tt0 -167.41 138.69 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD11 HG22 ' A' ' 98' ' ' THR . 48.1 mt -156.38 117.16 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HB2' HD22 ' A' ' 65' ' ' LEU . 39.6 tt0 -112.01 158.06 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 16' ' ' LEU . 13.0 mt -138.04 149.94 46.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.524 HG22 HG13 ' A' ' 19' ' ' VAL . 2.8 t -138.87 117.89 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 1.208 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 39.6 p90 -121.55 106.81 11.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -138.19 175.45 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.749 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.9 m-85 -145.83 139.94 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -101.96 121.17 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -106.11 136.04 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -135.66 117.65 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 77' ' ' VAL . 88.0 t -114.61 129.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.7 mp -117.01 123.13 46.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -96.2 170.17 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 21.5 mt-30 -41.23 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.3 35.3 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -152.97 163.03 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -157.06 114.26 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -133.7 143.91 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -130.17 142.85 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -145.66 130.94 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.3 ttp -79.92 125.2 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.59 148.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.52 -22.55 22.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -111.56 153.5 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.74 1.58 4.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.45 117.75 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 135.55 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -108.66 107.83 18.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.29 127.01 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HD12 ' A' ' 65' ' ' LEU . 66.4 p -129.27 -178.23 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 mttt 57.24 41.32 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 mt -96.04 -176.19 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' N ' ' OH ' ' A' ' 75' ' ' TYR . 70.1 mt-30 -113.98 138.06 22.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.33 42.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 25.9 t70 60.08 49.75 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 51' ' ' GLN . 32.7 m -141.81 143.0 33.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.0 m -86.12 125.82 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' N ' ' A' ' 70' ' ' GLN . 65.5 m-85 -119.21 115.92 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mm -82.37 133.45 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 48' ' ' VAL . 32.1 t -137.81 148.88 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -151.75 128.14 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.208 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 9.2 p -125.31 142.92 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HE ' HD11 ' A' ' 82' ' ' LEU . 15.5 ptt180 -140.32 144.3 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.749 HG23 ' CE2' ' A' ' 44' ' ' TYR . 3.1 m -82.7 99.44 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 ' HE ' ' A' ' 80' ' ' ARG . 5.2 mp -66.73 165.97 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -147.57 161.09 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 53.7 Cg_endo -69.74 -23.33 31.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -126.02 91.44 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.84 100.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.91 41.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.0 173.76 27.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -111.02 130.4 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -46.4 155.76 0.54 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.0 Cg_endo -69.8 136.63 33.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -38.87 115.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 42.8 m80 -101.73 107.99 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.16 104.73 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.4 m-85 -112.13 144.2 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -123.37 140.66 52.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 26' ' ' LEU . 22.2 p -94.71 144.25 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -46.82 142.54 4.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.09 68.15 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.034 HD12 ' CD2' ' A' ' 94' ' ' HIS . 8.6 mt -46.2 163.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.27 156.55 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 21' ' ' LYS . 57.3 tp -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG13 ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.1 -72.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 19' ' ' VAL . 14.1 tptt -135.0 99.46 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.675 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.1 ptpt -72.36 138.22 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.66 153.98 81.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -14.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -131.57 -7.89 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 11.2 tt0 -138.88 168.2 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 21' ' ' LYS . 9.9 mt -161.97 113.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.626 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.5 tt0 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 27' ' ' GLU . 5.2 mt -149.27 155.31 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -150.53 129.21 12.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.852 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 24.5 p90 -119.8 105.1 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.876 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 m -102.64 172.2 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -142.45 133.14 25.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -99.24 120.74 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -106.41 134.64 49.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.608 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.5 t-160 -136.12 119.4 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -114.02 131.75 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.8 mp -121.29 153.72 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -141.53 170.55 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.551 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 10.3 mm100 -35.04 -63.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -129.74 33.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ASN . 66.7 mt-10 -145.9 117.43 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.11 122.2 37.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -146.19 139.19 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -121.78 149.07 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 66' ' ' LEU . 8.1 pt20 -145.94 119.53 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -75.87 132.31 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.6 143.1 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 mt -88.17 -18.93 27.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.87 153.64 39.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -123.71 131.91 53.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG11 ' HG ' ' A' ' 46' ' ' LEU . 9.2 p -125.88 142.07 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' A' ' 67' ' ' THR . 1.0 OUTLIER -114.96 110.95 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.532 HD23 ' OE1' ' A' ' 57' ' ' GLN . 14.9 mt -97.54 128.79 44.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 65' ' ' LEU . 53.9 p -125.05 175.02 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt 60.16 42.9 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 32.1 mt -102.27 169.64 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -107.57 139.14 20.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 47.76 42.6 15.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.8 m -135.03 141.37 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 m -91.28 113.04 25.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 78.6 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mm -67.84 142.2 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 28' ' ' LEU . 15.0 t -133.81 148.01 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -161.4 125.47 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.852 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.6 p -124.34 147.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -145.02 143.2 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -77.01 116.66 17.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.0 138.98 42.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 p -133.69 152.2 78.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.0 8.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.41 92.3 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.8 80.3 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 142.19 46.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.29 38.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.49 38.08 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' SER . 7.7 m-85 -83.66 119.74 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' PHE . 4.5 p -37.29 156.35 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.08 18.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.04 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.034 ' CD2' HD12 ' A' ' 16' ' ' LEU . 86.9 m-70 -81.93 -176.93 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.1 114.99 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -127.74 139.94 52.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -131.13 148.5 52.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.7 p -94.2 149.99 20.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -51.98 151.75 6.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.79 63.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.878 0.371 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 28' ' ' LEU . 27.4 mt -66.85 112.02 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -108.3 137.59 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 21' ' ' LYS . 45.3 tp -88.31 107.98 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -87.76 -44.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -133.64 129.63 37.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.699 ' HB2' HD21 ' A' ' 18' ' ' LEU . 34.8 ttpt -114.77 87.81 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -105.82 157.54 34.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.87 32.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -134.89 28.42 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -168.5 149.17 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 98' ' ' THR . 66.9 mt -156.6 126.37 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' VAL . 46.8 tt0 -116.91 142.44 46.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 16' ' ' LEU . 5.5 mt -133.26 154.14 50.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -140.14 127.02 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.941 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.2 p90 -126.93 104.15 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.136 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 82' ' ' LEU . 10.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.423 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 7.1 p -117.17 -176.2 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.658 ' CE2' HG23 ' A' ' 81' ' ' THR . 10.1 m-85 -157.22 139.0 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.2 123.14 42.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -109.14 132.85 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.477 ' N ' HD13 ' A' ' 46' ' ' LEU . 21.5 t-160 -133.03 112.95 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' C ' HD12 ' A' ' 49' ' ' LEU . 82.5 t -107.97 137.15 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -124.97 147.61 48.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 75' ' ' TYR . 29.1 t30 -139.86 175.08 9.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -41.37 -61.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.91 20.77 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' ASN . 21.0 mt-10 -137.69 114.7 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -134.14 113.01 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -132.4 159.29 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.457 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -132.59 133.65 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.08 129.04 27.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -82.06 128.25 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.17 138.15 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.9 mt -79.7 -27.94 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -93.96 148.97 36.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.75 3.03 3.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -127.43 127.46 44.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.0 p -116.31 144.01 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -120.37 107.99 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -98.44 138.18 36.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 47.4 p -135.84 172.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 67' ' ' THR . 7.6 mmtm 71.55 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 mt -81.0 173.39 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.85 142.19 24.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 148.11 63.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 12.4 t70 50.63 50.16 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.9 m -138.54 129.68 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -72.78 121.97 20.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 50' ' ' ASN . 61.1 m-85 -118.98 119.18 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.7 mm -89.55 133.35 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 28' ' ' LEU . 27.6 t -136.05 137.37 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.9 ptp180 -138.12 121.11 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.941 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.1 p -116.09 146.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -148.39 136.54 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.7 m -77.23 128.39 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.532 ' O ' HD22 ' A' ' 42' ' ' LEU . 6.2 mp -88.42 162.33 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -144.62 161.65 42.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.688 . . . . 0.0 111.16 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 54.2 Cg_endo -69.66 -24.57 30.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.87 91.24 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.02 97.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HA ' HG23 ' A' ' 83' ' ' THR . 54.0 Cg_endo -69.72 140.75 43.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.17 166.14 6.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.38 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.48 138.44 36.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -60.11 155.23 46.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.75 33.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 119.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 22.5 m80 -102.61 107.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -68.03 105.92 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 38.6 m-85 -116.49 149.55 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -127.76 132.99 49.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.716 HG22 HD11 ' A' ' 26' ' ' LEU . 77.0 p -81.02 169.06 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -64.52 142.82 98.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.34 30.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 72' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 HD13 ' A' ' 28' ' ' LEU . 14.6 mt -58.0 107.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -106.71 139.4 41.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.0 tp -85.84 95.06 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -81.83 -48.64 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -122.39 116.99 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.75 88.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -111.31 151.37 43.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.749 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -23.03 31.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -124.58 8.25 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -150.7 156.15 40.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.0 mt -160.77 116.38 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.564 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.0 tt0 -106.57 147.07 29.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.7 mt -136.54 134.59 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' THR . 10.0 t -130.6 114.94 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.597 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.2 p90 -116.97 104.4 11.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -118.72 174.19 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -132.14 139.91 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -100.8 121.27 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD11 HG13 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -107.38 134.26 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.7 t-160 -133.74 112.2 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 77' ' ' VAL . 63.9 t -106.49 136.89 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.652 HD11 ' NH1' ' A' ' 78' ' ' ARG . 2.9 mp -122.32 124.63 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -95.91 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 9.8 mm100 -40.79 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.03 32.64 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -151.35 163.06 39.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -152.92 126.95 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -140.91 150.13 42.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -128.68 150.03 50.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.34 128.62 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -81.61 131.99 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -118.98 140.89 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.19 19.65 10.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.19 153.67 53.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.68 2.85 3.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -129.64 130.19 45.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.49 136.03 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.26 108.75 20.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.5 124.33 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -121.28 179.08 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mttt 59.4 45.33 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.09 174.89 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.476 ' NE2' ' HD2' ' A' ' 71' ' ' PRO . 10.4 mm100 -116.24 142.04 28.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HD2' ' NE2' ' A' ' 70' ' ' GLN . 54.2 Cg_endo -69.74 141.97 46.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 11.6 t0 59.48 50.89 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.4 m -141.58 138.66 32.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' PHE . 33.3 m -83.79 127.53 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -122.5 111.93 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.5 mm -84.99 138.77 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 48' ' ' VAL . 42.0 t -139.79 141.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.652 ' NH1' HD11 ' A' ' 49' ' ' LEU . 8.7 ptp85 -143.96 121.5 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.597 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.8 p -115.58 142.79 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -147.29 140.66 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -69.62 125.95 28.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.21 141.96 31.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -132.9 153.33 80.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.856 ' HG2' HD23 ' A' ' 85' ' ' LEU . 53.3 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.856 HD23 ' HG2' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -125.32 92.73 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.18 80.13 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.99 64.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 80' ' ' ARG . . . -68.76 164.32 49.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -82.42 127.57 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -46.61 156.08 0.54 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.761 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.93 29.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -39.33 109.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -91.16 101.81 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 112.35 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.0 m-85 -121.68 151.77 40.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.96 126.28 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 26' ' ' LEU . 60.7 p -79.11 151.01 31.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -53.86 153.29 8.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.38 63.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -95.94 114.96 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 13.4 t -49.19 -61.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.25 -143.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -57.56 177.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -44.48 167.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.33 -41.2 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.427 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.28 93.45 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' SER . 32.3 mm-40 -101.21 26.68 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' GLU . 7.5 t 35.56 41.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 tp -38.83 145.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -84.66 40.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.83 54.23 32.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 80' ' ' ARG . 63.1 mt -128.46 65.11 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 28.8 p -103.59 86.83 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 78' ' ' ARG . 51.2 mt -37.41 139.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -131.81 143.26 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 28.2 tp -76.0 102.99 5.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 20' ' ' LYS . 2.0 t -73.47 -55.43 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 19' ' ' VAL . 36.8 ttpt -141.05 133.91 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -101.17 111.14 23.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -128.13 157.01 75.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -27.28 26.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -133.66 29.61 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -164.23 150.88 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' CD1' HG22 ' A' ' 98' ' ' THR . 11.4 mt -154.19 117.91 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.607 ' OE2' HD23 ' A' ' 65' ' ' LEU . 21.2 tt0 -109.85 145.15 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -142.48 154.36 44.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t -145.85 135.43 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.727 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.5 p90 -128.88 113.87 15.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.89 150.6 52.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.54 40.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -111.11 172.11 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.12 145.73 31.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.69 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 63.35 37.26 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 5.1 t30 -87.26 139.85 32.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 37' ' ' ASN . 53.8 Cg_endo -69.73 174.79 8.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.27 -176.11 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' ASN . . . 88.34 58.75 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.9 m-20 -37.2 102.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.35 179.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.3 m -140.69 177.21 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -148.1 134.78 19.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.883 ' HB2' HD21 ' A' ' 82' ' ' LEU . 11.5 tp10 -99.02 121.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -103.38 135.11 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.475 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.2 t-160 -136.86 113.43 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.739 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 67.2 t -106.31 138.49 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 49' ' ' LEU . 5.4 mp -129.33 141.34 51.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -126.07 176.12 7.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -43.99 -58.62 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.75 29.79 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -146.13 114.64 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 126.56 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.739 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 6.0 p90 -144.6 148.23 34.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -129.34 154.05 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -156.05 114.87 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -73.01 125.3 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.34 143.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -95.49 17.06 15.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -139.13 152.62 70.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.739 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 1.63 4.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.753 2.302 . . . . 0.0 112.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -118.81 160.74 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -157.62 133.92 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.607 HD23 ' OE2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -115.79 111.57 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.69 132.1 46.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.2 p -126.74 176.76 7.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt 61.08 41.96 13.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.59 165.31 11.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -95.75 141.34 23.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.68 51.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 13.8 t70 56.3 54.08 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 m -138.74 135.88 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.1 m -82.88 116.41 22.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -112.75 119.28 37.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.42 133.99 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 28' ' ' LEU . 20.5 t -130.21 144.44 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.555 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.3 ptm180 -152.39 121.32 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.727 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 11.4 p -116.94 144.52 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.47 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -140.63 134.27 30.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -69.44 132.16 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -85.69 142.37 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 p -141.26 152.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.68 12.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.8 mt -125.15 92.82 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.68 85.86 0.72 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.488 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.15 47.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.631 2.22 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -56.4 157.41 10.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.33 21.86 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 14.1 m-85 -87.29 115.47 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 p -40.49 155.18 0.19 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.63 33.42 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.87 109.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -90.62 104.82 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.24 107.38 2.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 23.7 m-85 -121.23 145.16 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -122.62 133.53 54.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 26' ' ' LEU . 74.8 p -77.19 164.74 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -65.18 143.73 98.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.699 0.761 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 148.43 64.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.717 2.278 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.51 12.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.674 2.25 . . . . 0.0 112.395 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.6 t -38.11 112.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -146.29 171.43 27.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.32 4.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.9 p -148.4 125.74 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.5 p -59.46 141.28 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.438 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 m -50.6 -56.87 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -163.5 153.27 15.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.2 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -117.77 81.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -142.05 154.35 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.27 111.97 1.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.3 121.51 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.08 136.48 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.9 p -140.57 110.78 6.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 11' ' ' LEU . 3.7 tt -61.15 113.94 2.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -49.71 -65.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.21 51.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' H ' HD21 ' A' ' 11' ' ' LEU . 41.9 mt -126.44 51.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -82.73 96.17 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' A' ' 78' ' ' ARG . 18.2 mt -42.88 152.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.748 ' HD2' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -142.66 140.29 31.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.39 98.78 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 t -73.35 -57.78 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -128.67 134.98 48.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -106.77 99.2 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -117.2 155.17 50.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -37.0 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -121.06 29.28 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.442 HE21 HD21 ' A' ' 65' ' ' LEU . 11.2 tt0 -165.98 155.68 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HG22 ' A' ' 98' ' ' THR . 36.2 mt -155.87 121.18 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.8 tm-20 -116.72 133.7 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.7 mt -135.35 162.8 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 19' ' ' VAL . 11.1 t -151.0 137.14 18.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 22.9 p90 -126.01 110.01 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.67 168.34 18.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.07 -63.65 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -72.43 111.41 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -79.01 130.73 68.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 120.28 7.08 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -47.97 -47.5 32.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -97.93 150.96 37.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 105.33 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.46 -125.29 2.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.19 85.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -94.43 38.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -107.11 160.33 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -115.19 179.54 3.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -148.71 136.66 20.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.04 120.97 40.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.587 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -107.05 134.11 50.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' N ' HD13 ' A' ' 46' ' ' LEU . 16.4 t-160 -133.68 116.96 16.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 77' ' ' VAL . 98.5 t -111.34 133.01 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.732 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -120.86 154.71 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 33.0 t30 -142.59 173.94 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -44.26 -54.93 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -134.28 21.44 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 57.4 mt-10 -141.54 114.49 8.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -128.46 122.04 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -135.81 158.11 45.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -133.14 147.09 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -149.94 122.51 8.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.2 ttp -77.69 120.53 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -109.34 145.62 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -97.89 21.37 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -148.59 154.43 41.07 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.667 0.746 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -119.35 142.07 48.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.76 133.03 44.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD21 HE21 ' A' ' 25' ' ' GLN . 2.0 tm? -113.94 112.13 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' HD11 ' A' ' 69' ' ' LEU . 21.6 mt -98.76 123.54 43.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.0 mtpt 60.67 40.97 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 66' ' ' LEU . 25.7 mt -100.69 -175.9 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -119.43 144.11 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.554 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.56 69.29 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 46.6 46.72 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.4 m -127.54 134.29 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.9 m -79.79 120.68 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 56.0 m-85 -124.69 120.08 30.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.41 133.92 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 46' ' ' LEU . 51.5 t -132.43 143.2 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.8 ptp180 -153.68 122.9 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.3 p -115.3 144.55 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -141.19 132.85 27.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 m -70.01 125.75 27.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.73 138.99 33.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 p -133.59 152.09 78.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -36.73 10.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.09 92.87 3.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.56 84.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 151.44 68.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.55 54.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -91.63 120.51 32.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 p -40.12 155.01 0.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.2 Cg_endo -69.78 136.6 33.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -38.06 116.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 26.9 m80 -102.71 114.42 28.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.79 105.1 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.8 m-85 -112.74 146.01 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -127.96 126.44 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.72 HG22 HD11 ' A' ' 26' ' ' LEU . 64.8 p -71.16 164.43 25.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.2 t -60.46 142.89 90.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.716 0.769 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.08 55.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 178.91 4.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -41.96 113.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.18 84.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 105' ' ' SER . 53.7 Cg_endo -69.77 0.06 6.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 104' ' ' PRO . 4.4 m -35.23 150.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 t -109.47 95.83 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' SER . 87.6 p -115.86 -31.86 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' SER . 31.5 p 34.79 43.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.34 77.04 0.22 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 6' ' ' SER . 26.9 m -130.65 -58.2 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 93.4 p -36.01 135.79 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.99 104.62 0.21 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.92 86.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -136.29 105.07 5.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -57.41 147.06 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' ' 14' ' ' LEU . 1.3 pt? -112.6 -176.49 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.8 t -33.68 -55.07 0.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.27 77.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.904 ' HB2' HD11 ' A' ' 11' ' ' LEU . 61.0 mt -146.72 132.96 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.9 t -142.67 115.57 8.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 28' ' ' LEU . 41.9 mt -74.63 102.66 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -97.69 131.59 44.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 26' ' ' LEU . 17.9 tp -82.78 109.2 16.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -45.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -109.14 104.94 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' CG ' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -99.72 79.28 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -110.99 157.67 38.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.16 20.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -124.87 28.1 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -167.41 148.24 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 20' ' ' LYS . 29.5 mt -156.99 130.18 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' HD22 ' A' ' 65' ' ' LEU . 61.7 tt0 -121.03 138.17 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 16' ' ' LEU . 26.2 mt -122.36 159.88 26.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -149.35 124.13 9.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 79' ' ' VAL . 35.3 p90 -126.37 103.94 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.46 166.11 17.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.54 127.54 2.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.3 p -54.02 109.28 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -126.79 132.89 24.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.29 2.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.234 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -125.75 155.65 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -79.72 140.44 54.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 119.2 6.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.37 130.26 37.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.31 125.49 2.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.37 127.89 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.03 174.3 5.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 p -136.99 177.44 7.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -138.95 134.68 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -99.89 121.01 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.64 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -104.23 135.82 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.603 ' N ' HD13 ' A' ' 46' ' ' LEU . 16.1 t-160 -133.76 112.55 11.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 77' ' ' VAL . 90.6 t -109.11 131.79 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mp -125.43 155.44 40.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLU . 45.7 t30 -141.66 177.16 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -44.41 -58.58 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.3 30.01 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' ASN . 37.9 mt-10 -146.97 115.39 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -126.74 121.15 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.4 p90 -142.91 137.74 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.553 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -115.89 154.77 29.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -157.79 124.47 4.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -78.44 128.4 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.07 145.41 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.8 mt -85.04 -29.95 24.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 150.47 36.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.754 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.75 2.65 3.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.733 2.288 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -124.71 134.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.73 140.16 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HG23 ' A' ' 67' ' ' THR . 0.4 OUTLIER -111.55 112.29 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.3 mt -102.82 117.6 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.624 HG23 HD12 ' A' ' 65' ' ' LEU . 72.4 p -117.58 176.48 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt 62.65 41.29 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.3 mt -101.32 162.46 12.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -92.62 142.1 25.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.11 56.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 t70 54.64 51.52 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.8 m -137.13 129.82 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.0 m -73.51 133.43 43.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -131.66 121.69 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.7 mm -91.11 138.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 48' ' ' VAL . 63.0 t -142.22 144.14 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.5 ptm180 -148.96 118.06 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 30' ' ' TRP . 7.3 p -108.23 145.46 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.487 ' NH1' ' CE2' ' A' ' 90' ' ' PHE . 20.7 ptt180 -140.63 142.9 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -76.76 97.57 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.09 139.0 58.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 p -134.2 152.14 77.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.727 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.57 10.53 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 mt -125.19 92.62 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.0 84.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.45 65.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.24 161.09 54.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.82 51.94 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.487 ' CE2' ' NH1' ' A' ' 80' ' ' ARG . 9.6 m-85 -63.32 143.83 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -64.15 155.64 78.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 134.59 28.48 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.24 119.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.0 m80 -105.92 102.09 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.64 111.22 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.7 m-85 -115.9 153.54 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.7 ttp-105 -132.05 128.35 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.621 ' CG2' HD11 ' A' ' 26' ' ' LEU . 17.3 p -81.12 151.02 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.0 t -50.08 144.06 11.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.676 0.75 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.06 46.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -126.76 106.06 9.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.93 80.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -4.46 14.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.5 t -85.49 -60.3 2.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 95.1 p -67.76 -46.55 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -64.5 158.91 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -86.48 111.85 20.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.23 145.24 5.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -151.48 126.84 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -63.54 164.78 8.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 -45.05 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.62 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.71 84.23 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -95.86 99.39 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.7 tp -44.37 145.61 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 m -85.7 147.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.85 -38.69 2.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 30' ' ' TRP . 34.3 mt -137.69 121.35 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 m -146.69 119.35 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 78' ' ' ARG . 9.7 mt -76.22 134.14 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HE3' ' CG2' ' A' ' 29' ' ' THR . 4.7 pttp -129.97 147.27 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -78.91 102.32 8.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.693 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -80.38 -56.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' N ' HG12 ' A' ' 19' ' ' VAL . 33.5 tptt -128.13 118.92 24.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.27 103.55 15.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -124.22 159.05 58.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.473 ' N ' ' HB3' ' A' ' 99' ' ' SER . 53.8 Cg_endo -69.75 -29.35 24.08 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -129.31 30.66 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -167.87 148.22 5.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 98' ' ' THR . 16.4 mt -147.92 115.09 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.657 ' O ' HD23 ' A' ' 28' ' ' LEU . 46.9 tt0 -106.24 137.1 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.705 HD11 HG21 ' A' ' 77' ' ' VAL . 4.4 mt -139.05 152.25 47.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.693 HG22 HG23 ' A' ' 19' ' ' VAL . 9.9 t -147.61 138.33 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.757 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.51 113.55 17.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.57 166.98 21.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.39 95.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -132.05 111.52 11.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.354 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 15.2 mtm180 -52.52 -59.31 8.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 53.8 Cg_endo -69.76 168.29 21.98 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -157.7 115.2 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 4.1 t-20 -124.49 134.08 25.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 97.2 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.98 120.95 4.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.23 153.61 24.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -129.55 96.77 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.3 mt -142.06 154.88 45.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 p -124.94 175.55 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -141.32 133.09 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.852 ' HB2' HD21 ' A' ' 82' ' ' LEU . 14.6 tt0 -99.6 121.05 40.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.668 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -105.35 129.43 53.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 19.3 t-160 -129.22 110.45 11.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.716 ' C ' HD12 ' A' ' 49' ' ' LEU . 96.6 t -103.43 124.88 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.72 159.42 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -151.38 172.65 15.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -38.42 -67.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.8 26.91 6.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -139.79 115.09 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -126.75 118.07 23.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -141.6 150.2 41.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -132.21 140.44 48.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -140.5 123.51 16.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ttp -74.02 125.44 28.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.67 137.63 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -93.06 17.71 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -144.51 153.49 55.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.2 Cg_endo -69.8 1.29 4.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -119.42 138.25 53.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.48 136.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 65' ' ' LEU . 1.1 tm? -114.36 113.78 25.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 65' ' ' LEU . 46.4 mt -103.04 132.82 49.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.416 HG23 HD12 ' A' ' 65' ' ' LEU . 74.7 p -127.24 177.93 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mttt 60.62 46.48 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD13 HD12 ' A' ' 26' ' ' LEU . 60.8 mt -103.48 165.14 11.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -100.5 141.2 22.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.68 43.28 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 61.7 46.85 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.1 m -133.2 147.85 52.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' PHE . 74.6 m -92.74 121.33 34.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -116.88 118.33 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.06 132.28 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.705 HG21 HD11 ' A' ' 28' ' ' LEU . 24.5 t -127.36 142.07 44.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.5 ptp180 -148.23 129.6 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.757 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 6.2 p -126.06 141.44 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -140.46 155.21 46.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.1 m -87.15 126.77 35.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 45' ' ' GLU . 1.9 mm? -80.89 141.13 34.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 p -136.43 152.87 75.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.44 10.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.73 93.46 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.84 89.49 0.62 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.12 39.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.77 163.15 8.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.62 49.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -83.67 120.54 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 p -41.33 155.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.71 0.767 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.65 33.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -45.48 119.78 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 17.5 m80 -97.0 112.79 24.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.33 104.96 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.4 m-85 -119.56 154.0 34.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -136.11 137.49 41.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 26' ' ' LEU . 45.0 p -82.91 -176.74 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.473 ' HB3' ' N ' ' A' ' 23' ' ' PRO . 11.6 t -82.56 142.97 46.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.34 64.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 167.76 23.42 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 m -63.1 150.72 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.65 145.41 18.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 177.5 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -50.99 131.03 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.8 t -82.48 -47.6 12.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 38.5 m -110.77 -43.43 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.847 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 92.8 p 35.8 46.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.85 57.54 1.01 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.513 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -165.84 145.06 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -130.21 -44.8 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.34 157.13 7.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.54 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.85 155.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.21 -54.59 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -74.78 104.09 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD21 ' CD ' ' A' ' 92' ' ' PRO . 59.5 tp -122.97 73.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 t 39.98 35.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.38 63.36 1.62 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 50.5 mt -141.01 136.15 31.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.892 0.377 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.1 p -146.21 105.2 3.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 78' ' ' ARG . 34.0 mt -70.75 108.32 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -109.85 131.18 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.456 HD21 ' HE3' ' A' ' 21' ' ' LYS . 60.9 tp -70.16 102.56 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.803 HG23 HG22 ' A' ' 29' ' ' THR . 1.9 t -74.54 -63.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.62 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -129.98 135.15 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HE3' HD21 ' A' ' 18' ' ' LEU . 18.4 ttmt -109.58 110.66 21.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -122.34 156.8 60.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.703 0.763 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.72 14.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 12.6 mtp-105 -123.37 29.58 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' A' ' 65' ' ' LEU . 6.3 tt0 -163.73 162.09 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -154.23 120.72 5.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' HD23 ' A' ' 28' ' ' LEU . 50.6 tt0 -118.38 129.28 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD12 HG11 ' A' ' 77' ' ' VAL . 8.9 mt -130.76 163.54 27.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 19' ' ' VAL . 11.6 t -150.23 127.42 11.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.776 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.8 p90 -123.34 111.3 16.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.46 119.21 24.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.37 -141.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -118.62 84.39 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -152.95 154.86 31.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 147.41 62.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.24 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -75.46 96.04 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -158.93 127.07 2.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 105.98 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.44 -66.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.84 -176.4 33.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -143.9 125.56 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD22 ' O ' ' A' ' 82' ' ' LEU . 9.0 mt -145.16 166.62 24.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 m -114.13 -175.82 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -153.36 140.65 19.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -99.75 121.1 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.479 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.47 130.71 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.492 ' CE1' HH21 ' A' ' 78' ' ' ARG . 6.6 t-160 -132.06 110.67 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.88 139.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 mp -130.86 123.96 30.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.464 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 39.2 t30 -111.33 -177.56 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' ASN . 11.7 mp0 -35.82 -66.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.01 5.76 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -118.31 116.99 27.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.9 121.62 37.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -137.76 137.44 38.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.538 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -116.17 149.84 38.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -145.88 121.0 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.59 117.09 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -111.13 151.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.54 -34.2 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -93.26 152.02 40.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 3.19 2.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.377 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -118.52 119.29 34.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.02 130.67 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -111.76 109.7 19.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 65' ' ' LEU . 7.2 mt -95.92 142.37 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -131.83 -175.92 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.2 mttp 51.03 44.03 28.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.62 173.63 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.37 143.23 26.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.15 69.2 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.8 t70 47.33 54.2 9.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -140.81 133.67 29.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 96' ' ' PHE . 49.2 m -76.27 128.62 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.464 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 67.9 m-85 -126.11 113.36 16.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.3 mm -80.39 133.12 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.503 HG11 HD12 ' A' ' 28' ' ' LEU . 61.5 t -131.31 140.25 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.492 HH21 ' CE1' ' A' ' 47' ' ' HIS . 25.3 ptt180 -146.96 121.08 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.776 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.2 p -114.79 155.77 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -150.46 145.31 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -78.84 145.8 34.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.608 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -96.33 139.5 32.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 p -134.41 151.89 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.16 9.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.09 93.06 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.23 89.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 152.06 69.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.66 159.76 50.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 166.77 26.45 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -86.12 125.58 33.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.4 p -48.12 153.01 1.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.4 Cg_endo -69.7 136.99 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -40.52 121.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 37.8 m80 -103.98 107.32 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.37 107.03 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 74' ' ' THR . 43.2 m-85 -117.7 163.14 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -136.34 133.17 36.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.1 p -83.1 154.66 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 21' ' ' LYS . 1.2 t -50.84 143.18 15.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 147.28 62.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -15.82 37.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 103' ' ' GLY . 26.9 t -122.36 -61.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' SER . . . -36.31 155.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 166.46 27.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.9 p -85.08 144.97 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.4 m -67.0 113.0 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -156.57 153.48 28.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -169.18 166.28 10.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.46 149.93 6.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -101.35 147.02 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -117.46 167.7 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.0 73.17 0.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.56 42.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.731 0.301 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -71.56 130.69 41.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -66.48 133.28 50.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD13 ' HG2' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -74.07 -66.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -120.78 37.6 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.02 50.67 7.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 mt -124.92 58.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -77.2 113.3 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.829 HD12 ' ND1' ' A' ' 94' ' ' HIS . 43.5 mt -64.96 99.66 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -90.43 136.82 32.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 21' ' ' LYS . 30.7 tp -93.56 87.1 5.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.632 HG21 ' CD ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -54.35 -67.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.608 ' H ' HG23 ' A' ' 19' ' ' VAL . 34.8 ttpt -126.47 139.39 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' ' 18' ' ' LEU . 14.6 ttpp -112.75 98.89 7.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -107.34 154.63 40.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -21.19 34.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -128.0 -9.49 5.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -126.8 154.65 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 69' ' ' LEU . 11.8 mt -160.09 118.99 2.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.632 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.2 tt0 -116.56 149.99 38.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.615 ' CD1' HG11 ' A' ' 77' ' ' VAL . 7.9 mt -139.38 153.5 47.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 t -141.04 127.29 19.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.832 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.0 p90 -124.52 110.63 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.81 130.73 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -105.81 -91.74 2.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ARG . 44.7 t -139.42 117.66 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -37.08 143.18 0.35 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.54 54.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -69.62 -48.97 58.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.2 p30 -105.19 150.32 38.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.02 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.13 -146.43 0.95 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.74 -156.03 32.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -102.9 150.08 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -123.59 165.55 16.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -130.39 179.35 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -144.73 134.71 23.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.88 120.95 40.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.702 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -107.56 131.78 53.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 4.2 t-160 -128.92 113.94 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 77' ' ' VAL . 75.1 t -110.85 118.04 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -107.49 134.1 51.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -107.0 171.95 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 34.0 mt-30 -40.27 -75.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -108.49 35.22 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -152.71 163.33 39.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -152.91 126.49 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -148.0 140.72 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -130.35 148.15 52.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -143.25 128.08 18.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttp -77.98 126.5 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 m -118.45 137.24 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.2 mt -80.1 -30.8 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 150.45 44.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.637 0.732 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.83 3.41 2.82 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -133.68 126.33 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 65' ' ' LEU . 14.8 p -107.76 153.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -121.81 113.37 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.52 133.14 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.1 p -135.88 176.79 8.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 mttp 58.94 48.36 11.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 26' ' ' LEU . 52.6 mt -104.49 169.36 8.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -100.27 139.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.66 67.02 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t0 54.55 46.26 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.7 m -134.17 142.31 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 96' ' ' PHE . 50.1 m -87.55 129.41 35.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -126.77 123.31 37.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.4 mm -91.43 134.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.702 HG13 HD11 ' A' ' 46' ' ' LEU . 44.5 t -136.3 141.45 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -147.42 121.71 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.832 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 3.9 p -118.9 149.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -152.08 145.51 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.2 m -60.54 107.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.94 123.75 29.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 p -126.73 151.74 73.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.38 7.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 98.2 mt -125.42 92.58 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.75 68.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.84 52.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.77 162.82 53.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.552 ' HG2' HD13 ' A' ' 11' ' ' LEU . 53.4 Cg_endo -69.79 151.23 68.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 8.9 m-85 -73.96 137.04 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -61.05 158.15 36.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 134.75 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.289 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.8 117.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.829 ' ND1' HD12 ' A' ' 16' ' ' LEU . 30.6 m80 -99.31 113.37 25.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -74.95 108.81 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' THR . 48.3 m-85 -117.93 159.64 22.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -138.97 138.4 37.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.9 p -84.06 151.21 25.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.0 t -52.53 142.76 30.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.64 57.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.724 2.283 . . . . 0.0 112.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.2 m -103.11 161.21 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.95 -75.18 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.435 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -3.41 11.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.341 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -76.12 122.3 24.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.5 m -39.0 127.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.548 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -45.13 140.41 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -42.16 -56.24 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.83 -126.98 24.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -116.27 88.66 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -131.17 158.32 40.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.01 82.83 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 -43.5 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.748 0.309 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.73 97.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -173.61 139.43 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.549 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.32 -50.34 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.8 p -135.03 44.05 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.55 41.24 44.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 80' ' ' ARG . 26.3 mt -120.05 68.09 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' LEU . 82.4 p -89.41 86.45 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' SER . 38.1 mt -36.09 103.22 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -96.91 136.48 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 21' ' ' LYS . 61.0 tp -86.79 99.45 11.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -76.03 -62.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.579 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -124.61 130.92 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' HB2' HD21 ' A' ' 18' ' ' LEU . 32.3 ttpt -115.73 96.69 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -105.58 155.65 37.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.722 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.93 30.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -129.45 15.82 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 33.9 tt0 -158.02 159.16 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 13.5 mt -151.04 132.32 14.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 51.0 tt0 -131.68 121.86 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -118.68 171.13 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 29' ' ' THR . 13.8 t -153.47 116.66 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.754 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 34.4 p90 -118.6 108.36 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.24 -54.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 46.22 -104.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -114.39 140.69 48.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -123.13 140.42 33.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -100.04 77.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -167.98 143.74 3.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 128.34 15.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -144.47 177.06 23.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 -98.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -156.92 125.4 5.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.9 175.41 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.0 p -149.12 178.09 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -133.78 130.42 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -100.03 121.27 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.676 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.17 132.31 53.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.554 ' N ' HD13 ' A' ' 46' ' ' LEU . 20.6 t-160 -131.58 108.1 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG23 HD12 ' A' ' 46' ' ' LEU . 89.3 t -104.11 139.45 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -125.05 130.04 51.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.546 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -100.78 170.39 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 16.9 mm-40 -37.65 -68.32 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.99 37.1 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -153.05 164.73 37.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -157.45 128.28 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -145.93 151.49 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -126.81 145.93 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -146.03 113.4 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' HD23 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -71.15 130.42 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.87 151.55 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 58' ' ' MET . 30.5 mt -93.33 -25.62 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -88.92 153.79 49.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.548 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.4 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.347 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -127.85 -177.08 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.402 HG12 ' CZ3' ' A' ' 30' ' ' TRP . 8.9 p -164.0 136.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.3 tm? -113.85 107.35 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.2 136.82 33.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.7 p -131.21 -175.59 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt 50.18 49.33 20.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.0 mt -108.2 -175.22 2.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -118.91 143.51 33.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.08 68.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.91 51.67 16.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.9 m -137.26 137.49 39.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -83.64 119.83 25.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -118.91 113.98 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.0 mm -75.66 140.33 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.676 HG13 HD11 ' A' ' 46' ' ' LEU . 20.3 t -141.1 136.23 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -143.97 127.37 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.754 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 2.3 p -126.25 168.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.514 ' H ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -165.44 -176.45 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -110.97 85.3 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -42.84 147.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 p -126.91 151.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 mt -125.11 97.07 5.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.75 85.62 0.95 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.05 47.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.424 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -96.54 175.39 31.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.472 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.21 25.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -95.95 129.96 43.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p -37.83 155.78 0.1 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.696 0.76 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.72 136.3 32.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -40.47 106.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.8 m80 -90.29 109.74 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.88 105.25 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 31.8 m-85 -120.48 146.42 46.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 97' ' ' ARG . 18.5 ttm105 -132.68 136.41 46.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 p -81.94 158.54 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 143.17 24.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.37 64.91 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.44 14.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.5 p -46.3 158.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.16 145.99 14.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 143.96 52.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -111.96 80.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.1 p -81.32 165.39 21.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -130.05 42.17 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -80.24 110.71 15.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.29 93.65 0.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -110.3 107.56 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -160.28 162.06 33.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.24 -127.24 10.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.92 126.48 12.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.289 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.2 80.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.4 p -100.13 81.26 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' SER . 15.3 tp -88.99 49.04 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.9 m 38.05 37.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.0 75.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 80' ' ' ARG . 50.4 mt -147.6 150.45 34.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p -171.78 113.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD23 ' HE3' ' A' ' 30' ' ' TRP . 38.2 mt -72.28 145.19 48.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 2.4 ptpp? -140.05 156.71 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -92.65 110.66 22.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 t -104.85 -49.33 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 27' ' ' GLU . 6.3 ttmt -120.25 103.6 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -99.12 87.28 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.93 161.22 24.04 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.74 21.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.77 24.06 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' A' ' 65' ' ' LEU . 12.0 tt0 -160.93 148.4 15.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 26' ' ' LEU . 13.3 mt -144.82 128.66 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' OE2' HD23 ' A' ' 65' ' ' LEU . 16.6 tt0 -124.24 126.28 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mt -127.66 165.35 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 17' ' ' LYS . 5.4 t -150.31 138.21 20.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 30.7 p90 -127.81 107.86 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.11 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.85 88.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 p -130.45 102.96 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 54.4 mtt-85 -72.66 -60.64 1.93 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.722 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 53.5 Cg_endo -69.77 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.61 13.35 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -44.05 132.55 4.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -178.95 2.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.86 129.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.39 61.45 0.65 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -95.03 78.42 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -149.45 176.15 10.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -138.95 174.51 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -138.56 134.2 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 82' ' ' LEU . 29.9 tt0 -100.34 120.94 40.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -104.42 134.76 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.466 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.0 t-160 -135.68 113.02 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.724 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -106.85 131.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 48' ' ' VAL . 2.6 mp -122.28 152.98 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.538 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -143.86 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.538 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 14.7 mm-40 -34.16 -63.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -127.56 28.73 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 50' ' ' ASN . 19.3 mt-10 -140.27 113.97 8.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.18 113.98 19.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 12.1 p90 -137.28 145.14 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.21 141.31 51.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.21 118.75 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -73.34 129.69 38.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -120.59 144.87 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -90.03 -25.86 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 1.2 pm0 -90.41 153.14 46.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.14 3.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.71 170.59 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 p -157.32 139.15 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 25' ' ' GLN . 1.1 tm? -116.16 111.29 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 65' ' ' LEU . 43.0 mt -98.1 126.33 43.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.434 HG23 HD12 ' A' ' 65' ' ' LEU . 35.3 p -120.34 -178.23 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm 54.15 46.98 24.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.76 -177.94 3.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -117.79 143.81 33.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 139.58 40.73 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.722 2.282 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t0 54.98 54.53 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 93.8 m -135.77 130.35 33.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.2 m -76.25 121.14 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 51.9 m-85 -123.07 123.7 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.57 137.46 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -133.94 150.28 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -157.48 126.23 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.667 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -121.97 147.65 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.535 ' HA ' HD13 ' A' ' 14' ' ' LEU . 12.4 ptt180 -144.29 151.71 39.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.464 ' OG1' HD11 ' A' ' 14' ' ' LEU . 88.6 m -83.15 106.54 15.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 10.0 mt -68.29 141.17 55.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 p -131.8 152.23 79.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.159 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.234 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.0 mt -125.02 92.91 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.24 84.63 0.94 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 150.37 67.62 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.315 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.44 169.39 54.9 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.13 17.28 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 10.3 m-85 -97.31 129.46 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -48.35 155.85 0.88 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.8 Cg_endo -69.79 136.3 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -42.21 112.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 47.4 m80 -94.37 107.7 19.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.9 109.19 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 42.0 m-85 -122.26 154.54 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -134.58 136.3 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.2 p -79.34 167.52 20.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -66.56 142.45 97.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.692 0.758 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.86 68.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 175.13 8.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.0 m -80.62 82.55 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 45.09 -157.72 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.62 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.8 t -118.14 119.76 35.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.0 t -100.81 41.62 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -73.03 0.93 9.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -150.85 158.18 43.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.7 110.9 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -119.8 109.28 15.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -84.96 42.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.55 138.35 6.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.79 127.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.37 96.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -78.65 100.27 6.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.5 141.95 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -57.04 11.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.24 47.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' A' ' 80' ' ' ARG . 30.2 mt -120.98 60.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m -95.96 104.99 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 78' ' ' ARG . 11.3 mt -56.32 146.81 22.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 6.6 ptmt -137.13 156.89 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 21' ' ' LYS . 62.3 tp -94.18 95.47 8.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.65 HG23 HG22 ' A' ' 29' ' ' THR . 1.7 t -73.31 -55.43 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 19' ' ' VAL . 27.8 ttmt -132.89 125.12 29.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HB2' HD21 ' A' ' 18' ' ' LEU . 16.3 ttpt -101.04 126.5 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -143.63 158.67 56.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.685 0.755 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.434 ' N ' ' HB2' ' A' ' 99' ' ' SER . 54.0 Cg_endo -69.79 -30.78 21.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -129.69 28.8 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -163.83 154.74 15.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -152.31 126.54 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 28' ' ' LEU . 37.7 tt0 -117.14 129.85 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 27' ' ' GLU . 3.6 mt -136.3 156.61 48.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.65 HG22 HG23 ' A' ' 19' ' ' VAL . 7.6 t -146.52 134.84 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 41.9 p90 -127.72 112.7 15.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.65 -47.21 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.89 -176.92 17.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.554 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.7 t -62.67 -57.8 9.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.76 143.38 19.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 122.17 8.87 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.3 ttm-85 -148.53 110.5 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -139.89 142.56 31.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -29.94 23.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.22 86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.69 93.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -44.04 161.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.04 179.85 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.562 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 18.4 m -99.04 174.83 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 43' ' ' SER . 15.7 m-85 -144.51 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -98.99 120.99 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.782 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -104.11 131.25 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' N ' HD13 ' A' ' 46' ' ' LEU . 23.4 t-160 -133.03 110.46 10.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' C ' HD12 ' A' ' 49' ' ' LEU . 69.5 t -102.53 132.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.0 mp -123.33 114.18 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 75' ' ' TYR . 13.0 t-20 -86.86 174.15 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.11 -45.44 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.04 6.9 9.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-10 -131.68 160.65 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.74 121.23 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 13.5 p90 -148.18 145.54 28.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -127.5 146.56 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -141.65 125.9 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -81.01 128.47 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.27 158.3 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.8 mt -98.05 -32.08 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -87.4 151.48 50.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 5.35 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -121.77 158.12 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 64' ' ' VAL . 12.6 p -149.65 128.16 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -110.4 109.79 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 65' ' ' LEU . 18.8 mt -96.82 138.8 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.5 p -130.69 175.64 8.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? 63.47 44.16 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.65 -176.55 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -120.15 142.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 143.36 50.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t0 63.04 41.17 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -128.03 139.66 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.4 m -88.92 125.98 35.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE1' ' ND2' ' A' ' 50' ' ' ASN . 74.9 m-85 -123.7 124.53 42.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.6 mm -90.76 132.75 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.782 HG13 HD11 ' A' ' 46' ' ' LEU . 45.9 t -129.65 143.86 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.0 ptp180 -153.13 126.72 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.819 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.1 p -118.7 148.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -146.2 135.23 22.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -71.29 123.27 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -80.89 139.73 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.2 p -135.29 152.09 76.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.73 10.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.52 92.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.31 84.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.65 65.43 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.66 43.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 177.21 5.82 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.641 2.227 . . . . 0.0 112.388 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.5 118.72 36.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -39.0 155.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.687 0.756 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 135.92 31.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -42.17 109.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 44.3 m80 -94.56 103.64 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -73.64 111.63 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 53.9 m-85 -117.49 155.8 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -129.4 131.52 46.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.4 p -81.96 172.19 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.434 ' HB2' ' N ' ' A' ' 23' ' ' PRO . 17.3 m -68.45 150.73 97.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.64 65.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -39.65 6.31 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.683 2.256 . . . . 0.0 112.344 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.8 m -161.26 159.55 28.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -148.72 96.56 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -1.64 8.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -137.0 163.67 30.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 67.4 m -93.59 82.47 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.492 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -97.39 82.45 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -98.76 147.54 24.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.68 42.36 2.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -90.23 85.3 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -124.77 166.58 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.44 92.04 1.42 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.22 -61.63 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.733 0.301 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -96.57 39.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t -97.6 40.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 14' ' ' LEU . 11.3 tp -66.76 165.5 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 m -81.94 42.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 86.19 -48.71 3.98 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.69 ' O ' HD23 ' A' ' 11' ' ' LEU . 8.1 mt -33.12 133.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.798 0.332 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.1 p -155.13 111.81 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 78' ' ' ARG . 53.6 mt -71.51 125.45 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -127.18 130.68 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.4 tp -72.53 98.17 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.655 HG23 HG22 ' A' ' 29' ' ' THR . 1.8 t -74.94 -51.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -133.55 133.16 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.22 91.91 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 157.45 38.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.44 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -113.72 26.68 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -161.58 154.15 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 69' ' ' LEU . 29.7 mt -150.34 126.15 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -121.65 126.27 48.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.81 164.48 19.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.655 HG22 HG23 ' A' ' 19' ' ' VAL . 14.1 t -153.73 119.76 5.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.778 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -119.19 104.06 10.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.76 162.38 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.82 51.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -93.1 -57.63 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -149.03 140.82 14.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.67 5.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -110.76 174.59 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 8.0 t30 -58.69 140.61 85.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 37' ' ' ASN . 53.1 Cg_endo -69.79 178.24 4.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.672 2.248 . . . . 0.0 112.287 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.62 -108.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.07 -164.83 12.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -56.62 122.17 11.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -142.25 154.69 44.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -120.43 177.94 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -137.26 134.24 35.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -99.36 120.74 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -108.13 130.75 55.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.615 ' CE1' HD11 ' A' ' 49' ' ' LEU . 22.0 t-160 -131.06 113.78 14.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 55' ' ' TRP . 84.5 t -107.82 132.53 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.615 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -122.67 158.74 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.528 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -148.1 169.54 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 66.8 mt-30 -34.09 -64.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -127.09 31.21 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.7 mm-40 -143.55 115.78 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HG3' ' HG ' ' A' ' 49' ' ' LEU . 2.9 tt0 -124.41 116.04 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 14.4 p90 -141.6 149.89 41.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.542 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -134.67 143.96 47.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -143.43 131.06 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -78.4 137.95 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.6 142.68 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.24 20.96 9.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -145.87 149.86 40.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.76 3.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -129.3 127.23 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.3 p -119.25 141.15 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.02 109.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.5 mt -97.16 137.26 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 82.0 p -136.08 169.05 18.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 71.84 24.99 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 26' ' ' LEU . 8.4 mt -89.95 169.66 11.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -101.43 142.9 25.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 154.32 68.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t0 51.2 47.21 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -134.49 144.27 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 96' ' ' PHE . 88.9 m -94.08 123.05 37.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -119.86 122.85 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.21 135.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 46' ' ' LEU . 55.8 t -134.01 145.84 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HA ' HD11 ' A' ' 16' ' ' LEU . 7.8 ptp85 -155.11 118.53 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.778 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.7 p -110.69 147.59 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' HA ' HD12 ' A' ' 14' ' ' LEU . 11.4 ptt180 -141.79 144.57 34.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.4 m -76.25 104.22 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.92 138.01 52.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 p -136.23 152.71 75.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -32.7 18.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.2 mt -125.26 92.46 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.37 82.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.41 59.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.17 163.26 42.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.44 14.4 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.65 2.233 . . . . 0.0 112.398 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.1 126.52 36.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 p -45.92 154.8 0.55 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.689 0.756 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 54.1 Cg_endo -69.75 136.68 33.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' PRO . 4.1 p30 -35.91 120.29 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.4 m80 -108.38 103.63 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.58 108.84 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 24.7 m-85 -123.19 145.3 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -126.57 141.09 51.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.6 p -82.78 177.08 8.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 t -75.85 142.35 73.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.692 0.758 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 147.69 63.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.45 6.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -114.63 45.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 53.21 169.25 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 152.92 69.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.8 p -131.72 128.2 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.9 p -155.6 166.07 34.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -82.46 144.51 30.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -140.05 169.14 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.12 66.8 0.26 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -128.11 151.16 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -74.03 114.51 12.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.06 160.3 8.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.76 117.34 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -116.08 57.43 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -91.24 47.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.4 tp -82.17 154.55 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.09 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.64 77.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.7 mt -153.49 106.73 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.0 m -118.53 106.83 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.95 106.59 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -100.68 130.54 46.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 HD21 ' HE3' ' A' ' 21' ' ' LYS . 51.9 tp -77.68 98.66 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -65.24 -65.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.657 ' N ' HG12 ' A' ' 19' ' ' VAL . 42.2 tttp -148.9 112.05 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.822 ' HA ' HD23 ' A' ' 26' ' ' LEU . 7.8 ptpp? -84.31 155.43 22.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -149.54 161.45 31.68 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.724 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.89 25.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -130.71 19.82 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -162.72 163.64 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 21' ' ' LYS . 11.9 mt -155.4 124.63 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 77' ' ' VAL . 10.8 mt -133.11 163.91 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.613 HG22 HG23 ' A' ' 19' ' ' VAL . 13.3 t -152.43 128.66 10.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.704 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 35.0 p90 -128.83 113.75 15.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.48 124.45 36.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.61 93.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -113.39 68.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 3.2 mmm180 -53.35 -60.21 7.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 54.2 Cg_endo -69.75 -177.64 1.96 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.393 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -101.26 41.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -118.02 129.9 25.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -30.92 21.14 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.4 -119.12 3.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.21 -124.51 1.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.53 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -102.35 23.08 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.14 175.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 p -145.12 176.94 9.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -137.05 136.64 38.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.95 122.05 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -109.21 129.37 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.535 ' N ' HD13 ' A' ' 46' ' ' LEU . 12.7 t-160 -130.5 108.25 9.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.497 HG23 HD12 ' A' ' 46' ' ' LEU . 58.5 t -104.27 135.42 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 49' ' ' LEU . 2.2 mp -121.73 126.01 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.514 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -98.17 168.16 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 61.7 mt-30 -35.26 -74.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -110.99 34.07 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -149.61 164.06 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -156.11 130.72 8.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.462 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 15.8 p90 -145.02 149.12 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -128.17 142.03 51.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -144.47 135.75 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.4 ttp -89.39 133.0 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 m -126.58 138.76 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.52 -23.13 29.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.71 154.74 45.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.67 2.88 3.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -129.99 176.64 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -156.88 145.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.14 106.79 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.06 135.99 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.3 p -136.22 175.77 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 62.43 45.91 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.81 179.16 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -107.48 139.67 20.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.722 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 143.83 51.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 17.9 t70 57.77 48.94 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.5 m -137.54 141.31 41.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 96' ' ' PHE . 77.9 m -80.23 132.23 35.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.51 121.54 27.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.23 137.93 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 46' ' ' LEU . 41.4 t -136.98 141.66 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -151.42 124.13 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.704 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.1 p -118.6 152.42 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.656 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 10.9 ptt180 -153.71 145.44 23.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -77.09 110.83 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.73 137.78 44.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 p -133.84 152.53 78.87 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.563 0.697 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -35.47 12.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.97 92.96 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.65 83.61 0.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.522 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.45 67.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.66 164.59 48.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 11' ' ' LEU . 53.8 Cg_endo -69.79 157.83 59.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.24 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.0 m-85 -85.84 119.27 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' PHE . 16.7 p -37.59 153.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.705 0.764 . . . . 0.0 110.811 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' ASP . 53.5 Cg_endo -69.76 135.62 30.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' PRO . 1.5 p30 -37.58 99.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.7 m80 -90.53 104.91 17.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -67.68 136.84 54.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 60.9 m-85 -144.37 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 ttp-105 -131.65 141.83 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 29.8 p -83.97 163.29 20.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -66.93 149.09 98.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.724 0.773 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 147.76 63.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.94 5.1 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.3 m -58.72 114.74 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -108.5 94.79 0.88 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.47 10.73 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 m 50.1 30.3 4.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -80.77 99.8 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -73.89 -51.79 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p 45.06 42.24 6.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.23 161.32 41.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -86.93 -62.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -92.43 148.21 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.37 138.42 5.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.26 118.71 30.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -168.2 163.78 13.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.463 ' OG ' HD23 ' A' ' 11' ' ' LEU . 80.6 p -81.84 -74.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 14' ' ' LEU . 1.2 pt? -140.72 -175.0 4.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -59.39 76.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 130.78 -121.91 3.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.734 ' CD1' HD21 ' A' ' 11' ' ' LEU . 5.0 mt 25.28 49.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 10.0 m -99.47 79.82 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.582 ' HB2' ' CD2' ' A' ' 94' ' ' HIS . 58.3 mt -33.92 120.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -116.62 137.12 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 21' ' ' LYS . 26.1 tp -93.35 85.8 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -58.13 -68.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' H ' HG23 ' A' ' 19' ' ' VAL . 32.8 ttmt -112.44 134.54 53.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' ' 18' ' ' LEU . 25.6 ttpp -111.46 89.81 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.3 153.34 38.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 98' ' ' THR . 54.0 Cg_endo -69.73 -16.64 37.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -126.94 -24.64 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -113.57 160.84 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' A' ' 98' ' ' THR . 8.0 mt -165.52 112.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.629 ' O ' HD23 ' A' ' 28' ' ' LEU . 56.0 tt0 -108.84 150.7 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.5 mt -138.89 149.74 45.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -143.13 131.05 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.698 ' CE2' HG21 ' A' ' 79' ' ' VAL . 31.7 p90 -124.3 109.34 13.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.06 158.45 43.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.33 -161.85 26.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -64.59 159.18 22.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.64 145.86 38.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.32 9.06 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -127.64 145.93 56.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 177.21 5.83 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.676 2.25 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.75 -164.8 11.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.03 -82.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.499 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.19 53.81 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -73.07 153.97 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.4 m -123.17 177.41 5.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -141.81 135.75 29.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -98.94 122.64 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -107.82 128.42 54.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.421 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.4 t-160 -126.49 117.57 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.2 t -108.63 133.15 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 49' ' ' LEU . 1.5 mp -128.42 124.92 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' GLN . 58.7 t30 -112.29 178.94 4.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.2 tt0 -33.72 -63.37 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 3.48 4.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -116.52 113.69 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -122.52 114.94 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -131.6 129.08 40.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -108.62 154.93 21.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -153.9 127.36 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 ttp -78.19 126.69 31.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.72 142.88 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -87.08 -28.35 22.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 63' ' ' ARG . 5.1 pt-20 -94.53 153.19 40.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.475 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 6.89 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 17.4 ptp180 -126.07 150.19 48.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 p -137.05 136.18 47.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -108.19 112.62 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -110.22 128.32 55.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.9 p -131.26 -174.8 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp 56.65 44.42 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 14.2 mt -101.79 174.12 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -105.97 141.92 23.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 142.6 48.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t0 58.27 53.28 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -138.24 143.27 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -89.42 120.15 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 66.7 m-85 -117.87 124.16 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.4 mm -90.89 138.31 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.718 HG13 HD11 ' A' ' 46' ' ' LEU . 23.5 t -141.99 137.71 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' A' ' 16' ' ' LEU . 11.6 ptt180 -142.04 133.26 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.698 HG21 ' CE2' ' A' ' 30' ' ' TRP . 8.5 p -123.57 146.94 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 15.2 ptt180 -149.09 142.18 24.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.8 m -72.03 107.36 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 82' ' ' LEU . 10.2 mt -67.6 141.94 56.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 p -133.11 152.02 78.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -40.23 5.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.6 mt -125.07 92.67 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.86 80.75 1.25 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 140.79 43.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.326 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.3 166.09 30.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 157.18 61.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 7.7 m-85 -80.15 144.2 33.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -63.01 156.27 68.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 134.8 28.82 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.86 105.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 16' ' ' LEU . 12.0 m80 -85.65 107.51 17.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.37 107.64 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 27.2 m-85 -120.32 144.17 47.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -129.2 136.8 50.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.466 HG22 ' HG ' ' A' ' 26' ' ' LEU . 16.7 p -82.35 145.32 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.4 t -43.89 142.21 2.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.762 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.08 56.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t 56.02 43.96 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.05 -165.24 50.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -45.52 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.6 p -167.5 133.94 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.5 m -126.52 132.45 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -164.82 160.69 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -74.37 104.81 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.77 -160.21 33.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -100.51 89.36 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -74.55 137.44 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.98 133.62 2.84 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.99 129.78 51.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -125.54 145.48 50.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 m -106.81 83.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tp -102.89 118.03 35.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 t -48.59 164.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.85 93.64 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -130.25 60.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -89.45 94.9 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 78' ' ' ARG . 20.4 mt -50.93 120.49 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.29 135.41 54.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD11 HD22 ' A' ' 26' ' ' LEU . 25.7 tp -84.51 97.26 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.35 -42.22 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 31.3 tptt -113.71 113.11 24.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB2' HD21 ' A' ' 18' ' ' LEU . 20.6 tttm -107.99 87.65 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -115.93 156.74 46.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.669 0.747 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -21.03 33.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.61 27.16 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' NE2' HD21 ' A' ' 65' ' ' LEU . 24.2 tt0 -168.65 152.03 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.924 HD11 HG22 ' A' ' 98' ' ' THR . 41.9 mt -156.39 126.86 6.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 19' ' ' VAL . 34.7 tt0 -113.13 142.63 45.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 16' ' ' LEU . 15.7 mt -131.23 153.3 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -141.58 125.06 16.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 32.2 p90 -125.83 106.67 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.9 148.18 52.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.69 177.14 24.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.3 m -53.4 118.01 3.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -101.08 134.31 20.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.589 0.709 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 165.37 31.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -54.21 -49.13 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -135.86 105.56 9.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.638 2.226 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.98 104.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.09 144.0 15.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.62 94.38 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.14 160.26 32.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.513 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 69.7 m -117.85 176.32 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -137.61 133.03 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.7 tp10 -98.67 120.81 39.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -108.54 132.27 54.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' N ' HD13 ' A' ' 46' ' ' LEU . 6.9 t-160 -133.93 110.93 10.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.662 HG22 HG22 ' A' ' 77' ' ' VAL . 58.8 t -105.56 133.35 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -124.66 162.08 24.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLU . 34.1 t30 -150.89 -177.58 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -48.31 -60.16 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 23.44 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' ASN . 57.5 mt-10 -136.88 115.49 12.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -127.64 116.04 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 6.5 p90 -138.8 154.7 48.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.529 ' HB3' ' CG ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -141.53 143.48 33.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -149.15 134.72 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 43' ' ' SER . 3.0 ttp -82.07 122.44 27.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.37 142.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.18 18.31 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -138.14 150.64 67.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.72 4.08 2.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -133.23 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.32 135.66 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD21 ' NE2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -112.38 109.25 18.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.5 mt -95.2 140.07 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.2 p -133.57 177.84 7.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 59.54 47.66 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -107.4 168.71 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.57 141.58 22.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.69 33.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 62.11 54.95 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.1 m -141.48 135.85 30.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 63.1 m -75.99 125.85 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.94 121.73 36.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.5 mm -90.77 138.49 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 46' ' ' LEU . 58.3 t -139.98 148.95 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HA ' HD11 ' A' ' 16' ' ' LEU . 27.1 ptt180 -153.28 127.43 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.621 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.7 p -122.37 144.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.667 ' CZ ' ' CE2' ' A' ' 90' ' ' PHE . 9.1 ptt180 -149.24 152.56 36.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.4 m -83.7 135.88 34.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 45' ' ' GLU . 4.1 mm? -83.05 145.84 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.41 ' HG1' ' C ' ' A' ' 86' ' ' GLY . 4.1 p -135.31 152.15 76.22 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.9 mt -125.42 95.78 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.41 ' C ' ' HG1' ' A' ' 83' ' ' THR . . . 80.72 91.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.63 51.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.59 160.89 23.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 144.98 55.63 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CE2' ' CZ ' ' A' ' 80' ' ' ARG . 9.2 m-85 -71.95 137.12 47.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.8 p -55.89 153.82 15.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.45 25.64 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -38.2 110.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 20.0 m80 -91.79 107.1 18.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -67.82 109.44 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 43.3 m-85 -119.27 151.07 39.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -129.55 122.58 29.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.924 HG22 HD11 ' A' ' 26' ' ' LEU . 72.4 p -68.96 166.62 17.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 t -64.45 132.35 95.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 147.84 63.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.32 19.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 0.0 112.329 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.6 m -55.94 126.74 27.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -81.35 176.08 54.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 86.04 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.9 t -122.66 -64.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.8 t -43.26 -59.46 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -82.26 160.11 23.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -96.16 156.72 16.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.68 148.86 8.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -124.65 -54.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -99.74 128.68 45.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.73 -68.82 3.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.79 77.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -96.66 -178.44 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 t -40.23 133.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp -104.4 169.17 8.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -84.5 53.63 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.31 37.14 31.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD11 ' OG1' ' A' ' 81' ' ' THR . 31.0 mt -130.91 53.2 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.356 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 p -92.82 112.33 24.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 78' ' ' ARG . 33.4 mt -63.33 146.51 53.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 29' ' ' THR . 5.9 ptmt -138.48 152.04 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.516 HD21 ' HE3' ' A' ' 21' ' ' LYS . 54.4 tp -89.0 97.37 11.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 20' ' ' LYS . 1.8 t -69.63 -59.38 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.2 ttpt -136.14 126.14 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.516 ' HE3' HD21 ' A' ' 18' ' ' LEU . 13.3 ttmt -94.17 123.11 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -139.35 157.33 70.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.18 5.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -119.2 28.94 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 39.4 tt0 -163.06 154.14 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 69' ' ' LEU . 19.0 mt -152.32 115.49 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.608 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.9 tt0 -107.19 142.57 36.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -147.77 160.49 42.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 14.1 t -153.97 138.03 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.845 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 33.6 p90 -128.65 107.38 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.27 147.88 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.31 -117.81 0.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.3 t -40.44 152.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -159.59 143.65 10.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.3 8.24 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 37' ' ' ASN . 7.5 ptp85 -64.15 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 9.1 m-20 -125.82 143.54 45.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -29.65 23.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.28 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.77 -140.2 29.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.18 -172.69 34.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.83 113.52 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 82' ' ' LEU . 7.4 mt -104.23 173.43 6.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.449 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 1.3 p -127.96 -176.66 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -145.71 136.2 24.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.8 120.6 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.735 HD11 HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.69 130.18 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.519 ' N ' HD13 ' A' ' 46' ' ' LEU . 8.3 t-160 -130.77 106.07 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.784 ' C ' HD12 ' A' ' 49' ' ' LEU . 91.3 t -99.24 138.52 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -125.32 161.69 26.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.572 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 57.7 t30 -150.7 168.54 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . 1.0 OUTLIER -33.79 -64.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.07 26.03 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -140.92 115.47 9.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -122.32 127.59 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.4 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 7.3 p90 -147.57 140.98 25.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -127.85 152.67 47.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -150.61 135.08 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 2.1 ttp -82.32 119.53 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.0 143.12 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.5 -24.7 21.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -90.78 152.86 45.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.546 ' O ' ' CD2' ' A' ' 30' ' ' TRP . 53.7 Cg_endo -69.79 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -123.88 166.12 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.43 HG12 ' HZ3' ' A' ' 30' ' ' TRP . 7.3 p -151.38 133.97 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.28 107.44 18.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.6 mt -93.73 129.61 40.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.0 p -130.99 173.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.6 mttp 61.43 42.79 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.657 HD13 HD12 ' A' ' 26' ' ' LEU . 22.9 mt -98.84 -177.95 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.68 142.51 26.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 135.13 29.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 60.33 50.77 5.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 53.1 m -135.24 137.45 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.4 m -80.67 125.05 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 65.6 m-85 -123.06 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.3 mm -90.68 140.2 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.735 HG13 HD11 ' A' ' 46' ' ' LEU . 11.1 t -137.0 148.83 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.756 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.4 ptp85 -157.56 125.98 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.845 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.1 p -119.08 147.68 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 7.3 ptm180 -134.75 172.24 13.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.556 ' OG1' HD11 ' A' ' 14' ' ' LEU . 91.5 m -112.59 106.27 14.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 42' ' ' LEU . 3.6 mm? -55.76 145.64 23.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 81' ' ' THR . 1.2 p -152.53 153.68 30.82 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.564 0.697 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.15 17.19 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.64 2.227 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.5 mt -125.29 93.89 4.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 87' ' ' PRO . . . 74.33 100.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 86' ' ' GLY . 53.9 Cg_endo -69.77 158.31 57.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' O ' ' NE ' ' A' ' 80' ' ' ARG . . . -62.26 150.34 46.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.56 10.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' ' HD2' ' A' ' 80' ' ' ARG . 8.2 m-85 -52.58 110.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -38.3 155.85 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.9 Cg_endo -69.73 136.52 33.29 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -38.73 104.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 43.5 m80 -89.86 104.83 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 122.91 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 46.2 m-85 -133.7 145.9 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -124.16 133.52 53.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.535 ' CG2' HD11 ' A' ' 26' ' ' LEU . 19.5 p -80.24 165.65 22.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -64.32 142.32 98.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.59 63.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -12.93 33.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -102.95 -53.06 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -48.26 124.29 11.02 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -45.81 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.3 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.6 m -140.67 143.06 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.4 p -70.43 -49.66 46.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p -107.31 -50.27 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 51.22 42.16 28.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.17 -145.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -102.16 114.23 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -139.48 121.78 15.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.29 55.44 0.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.17 79.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -113.5 94.0 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -101.96 40.99 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 14' ' ' LEU . 12.3 tp -52.98 141.23 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -77.33 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.31 49.24 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 80' ' ' ARG . 42.7 mt -122.76 64.74 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 p -87.91 104.57 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' ND1' ' A' ' 94' ' ' HIS . 12.5 mt -49.23 122.14 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -111.72 140.99 45.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 21' ' ' LYS . 58.0 tp -94.97 92.65 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.675 HG23 HG22 ' A' ' 29' ' ' THR . 1.6 t -67.4 -57.74 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' N ' HG12 ' A' ' 19' ' ' VAL . 21.9 tttp -151.19 114.79 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.837 ' HA ' HD23 ' A' ' 26' ' ' LEU . 21.3 pttt -94.75 141.18 28.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -130.69 161.32 61.78 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.83 33.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -130.87 -4.42 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -138.93 169.17 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 21' ' ' LYS . 12.2 mt -156.8 116.52 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -108.26 113.78 27.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.07 162.0 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.675 HG22 HG23 ' A' ' 19' ' ' VAL . 13.9 t -153.86 125.78 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.827 ' CE2' HG21 ' A' ' 79' ' ' VAL . 19.2 p90 -112.79 105.98 14.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.96 138.46 48.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.78 73.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.4 m -158.42 145.83 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' NH2' ' NH1' ' A' ' 36' ' ' ARG . 11.6 ttt180 -67.48 140.61 94.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 34' ' ' ARG . 53.9 Cg_endo -69.83 1.28 4.62 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' NH1' ' NH2' ' A' ' 34' ' ' ARG . 19.7 mmm-85 -65.39 86.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -159.53 117.29 1.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.94 4.9 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.39 -91.33 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.71 54.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -130.0 92.51 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mt -143.55 159.47 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.7 m -117.03 175.32 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.09 135.82 32.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -99.68 123.16 43.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -108.91 135.26 50.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.6 ' N ' HD13 ' A' ' 46' ' ' LEU . 5.7 t-160 -137.63 113.19 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.5 t -105.99 135.39 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.65 119.17 32.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -91.73 170.51 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 19.3 mm-40 -42.8 -70.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.06 26.17 10.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' ASN . 11.1 mm-40 -145.32 159.97 42.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.62 129.24 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -148.97 140.11 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -126.09 159.56 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -157.48 123.27 4.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -73.81 130.62 40.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.38 156.87 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.3 mt -101.56 -33.43 9.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.88 154.38 58.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.696 0.76 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 3.53 2.7 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -129.26 147.73 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.29 135.43 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD13 ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -109.92 103.59 12.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.5 mt -98.3 121.91 40.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 HG23 HD12 ' A' ' 65' ' ' LEU . 19.1 p -116.53 -178.41 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 mttt 55.76 46.57 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -106.26 -175.32 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -119.5 142.27 32.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.54 65.59 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 45.6 52.06 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 48.3 m -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.6 m -84.21 119.36 24.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -121.44 136.91 54.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.9 mm -101.45 125.69 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 46' ' ' LEU . 36.5 t -121.17 143.37 33.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -148.61 123.6 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 30' ' ' TRP . 9.8 p -124.56 143.19 38.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -147.1 144.81 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.5 m -72.2 125.53 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -87.3 138.26 31.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.6 p -135.79 152.12 75.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.623 0.725 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -34.62 14.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.5 mt -125.64 92.28 3.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.08 75.43 1.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.13 32.24 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.9 158.31 8.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -86.67 121.87 29.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -43.67 155.37 0.32 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.741 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.446 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 53.5 Cg_endo -69.74 134.88 29.12 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -40.17 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 58.8 m80 -95.21 109.08 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -71.91 110.53 6.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 57.2 m-85 -117.19 159.0 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -137.98 128.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.3 p -73.92 175.06 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -75.76 139.72 70.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 148.24 64.58 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -50.39 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.357 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.1 p -91.12 159.48 16.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.25 91.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.53 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -68.44 -54.17 18.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.4 t -78.97 120.11 23.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -147.59 143.33 27.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -83.64 150.46 25.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.3 61.73 1.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -108.38 82.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -158.72 169.04 25.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.72 -155.88 3.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.05 91.82 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -85.71 145.83 27.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t -114.22 155.59 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 tp -127.74 131.27 49.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -57.46 -54.46 46.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.69 53.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD13 ' HA ' ' A' ' 80' ' ' ARG . 58.2 mt -127.57 58.06 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.4 m -86.06 99.49 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.653 HD22 HD13 ' A' ' 28' ' ' LEU . 25.1 mt -51.39 112.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -100.56 133.05 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 21' ' ' LYS . 44.0 tp -84.16 92.59 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.611 HG23 ' H ' ' A' ' 20' ' ' LYS . 13.4 m -61.03 -55.86 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.611 ' H ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -138.3 138.0 37.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HB2' HD21 ' A' ' 18' ' ' LEU . 30.9 ttpt -109.58 90.45 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -104.48 158.29 32.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -32.32 18.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -126.22 29.37 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -165.8 143.74 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.794 HD11 ' CG2' ' A' ' 98' ' ' THR . 33.4 mt -157.69 115.47 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.75 ' O ' HD23 ' A' ' 28' ' ' LEU . 57.2 tt0 -109.71 158.38 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.75 HD23 ' O ' ' A' ' 27' ' ' GLU . 10.9 mt -144.99 149.12 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -139.02 119.11 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.901 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.0 p90 -116.11 103.98 11.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.01 131.63 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.57 106.83 0.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -167.42 110.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.566 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER -81.03 -66.64 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 110.814 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 34' ' ' ARG . 53.7 Cg_endo -69.78 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.256 . . . . 0.0 112.354 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 37' ' ' ASN . 6.9 tmm_? -171.7 150.85 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CD ' ' A' ' 36' ' ' ARG . 2.0 p-10 -95.82 142.73 24.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.25 63.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.32 167.42 12.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 135.68 137.95 3.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -50.64 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 82' ' ' LEU . 13.8 mt -133.19 151.62 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.6 m -125.65 174.82 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -135.96 135.91 39.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 82' ' ' LEU . 9.8 tp10 -98.78 120.9 39.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -110.82 130.64 55.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.663 ' CE1' HD11 ' A' ' 49' ' ' LEU . 13.7 t-160 -134.25 114.41 13.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG22 HG22 ' A' ' 77' ' ' VAL . 62.0 t -105.92 137.61 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 47' ' ' HIS . 5.2 mp -125.47 148.48 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.643 ' CG ' ' CE1' ' A' ' 75' ' ' TYR . 43.8 t30 -138.51 173.65 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' ASN . 2.0 tt0 -33.89 -67.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -129.08 28.15 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -139.58 114.09 9.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.44 125.86 47.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.441 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 1.4 p90 -148.46 135.24 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.526 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -122.56 147.21 46.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -146.65 127.85 14.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -77.8 125.5 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -114.33 144.74 21.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -87.19 -30.25 21.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -87.88 152.94 51.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.501 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.7 OUTLIER -127.78 156.23 42.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 p -139.34 146.55 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 1.2 tm? -122.42 111.72 17.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.13 133.6 47.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.5 p -129.71 -179.79 5.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.3 mttt 56.77 45.01 22.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.89 -179.08 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -114.11 139.31 23.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.968 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.06 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.401 ' HB2' ' HD3' ' A' ' 101' ' ' PRO . 24.8 t70 59.73 49.97 7.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.8 m -137.13 131.2 32.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.8 m -72.75 128.96 37.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.643 ' CE1' ' CG ' ' A' ' 50' ' ' ASN . 40.3 m-85 -127.89 126.63 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mm -96.79 127.44 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.629 HG13 HD11 ' A' ' 46' ' ' LEU . 46.0 t -128.58 138.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.701 ' O ' HD22 ' A' ' 46' ' ' LEU . 3.8 ptp180 -136.52 145.87 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.901 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 4.3 p -146.72 149.62 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.632 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -147.81 175.39 10.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.438 ' O ' ' NH2' ' A' ' 80' ' ' ARG . 27.4 m -109.25 97.19 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 45' ' ' GLU . 2.2 mm? -46.1 153.37 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.9 154.63 80.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -39.15 6.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -125.51 106.4 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.7 94.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.22 59.48 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.438 ' H ' ' NH2' ' A' ' 80' ' ' ARG . . . -76.34 176.79 51.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.07 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -110.91 129.98 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 p -40.62 155.9 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 135.93 31.53 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -43.09 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 31.4 m80 -82.11 107.68 15.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -74.18 106.33 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 41.8 m-85 -117.8 154.16 32.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -135.4 133.93 39.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.794 ' CG2' HD11 ' A' ' 26' ' ' LEU . 23.0 p -81.75 159.23 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -55.15 143.8 52.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.02 61.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.286 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.75 -179.18 2.73 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.0 t -62.54 120.15 10.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.12 119.53 0.69 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 164.25 35.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.7 t -111.32 97.57 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.0 t -53.08 -51.49 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -124.76 117.56 24.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -168.88 171.26 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.03 87.05 1.98 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -150.91 158.86 44.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -126.95 -45.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.18 157.9 8.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.82 115.65 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -86.36 177.53 7.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.1 t -43.97 136.63 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 14' ' ' LEU . 14.2 tp -173.71 135.58 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -56.41 -54.1 49.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.14 63.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.617 HD22 ' CD1' ' A' ' 30' ' ' TRP . 70.6 mt -137.1 159.61 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 m -165.08 114.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 28' ' ' LEU . 15.5 mt -76.82 115.45 16.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -108.77 135.15 50.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.611 HD21 ' HG3' ' A' ' 21' ' ' LYS . 46.2 tp -84.08 90.42 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.585 HG23 ' H ' ' A' ' 20' ' ' LYS . 11.9 m -63.05 -55.35 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' H ' HG23 ' A' ' 19' ' ' VAL . 26.8 ttmt -124.19 137.44 54.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HG3' HD21 ' A' ' 18' ' ' LEU . 6.9 ttmm -113.19 83.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -107.55 155.6 39.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -25.21 28.93 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.756 2.304 . . . . 0.0 112.32 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -130.34 28.7 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.608 HE21 HD11 ' A' ' 65' ' ' LEU . 48.7 tt0 -167.41 138.69 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD11 HG22 ' A' ' 98' ' ' THR . 48.1 mt -156.38 117.16 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.683 ' HB2' HD22 ' A' ' 65' ' ' LEU . 39.6 tt0 -112.01 158.06 19.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 16' ' ' LEU . 13.0 mt -138.04 149.94 46.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.524 HG22 HG13 ' A' ' 19' ' ' VAL . 2.8 t -138.87 117.89 12.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 1.208 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 39.6 p90 -121.55 106.81 11.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.38 128.2 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.97 113.76 4.91 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -69.41 98.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -155.41 151.47 22.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.84 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -4.71 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -156.39 118.66 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -114.74 93.42 33.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.44 4.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.28 165.64 23.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.4 -79.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -82.44 38.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt -88.94 165.11 14.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -138.19 175.45 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.749 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.9 m-85 -145.83 139.94 26.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -101.96 121.17 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -106.11 136.04 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 22.2 t-160 -135.66 117.65 15.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 77' ' ' VAL . 88.0 t -114.61 129.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.7 mp -117.01 123.13 46.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -96.2 170.17 9.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 21.5 mt-30 -41.23 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.3 35.3 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -152.97 163.03 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -157.06 114.26 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 4.3 p90 -133.7 143.91 48.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -130.17 142.85 50.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -145.66 130.94 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.3 ttp -79.92 125.2 29.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.59 148.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -89.52 -22.55 22.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -111.56 153.5 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.549 ' HA ' ' CE2' ' A' ' 30' ' ' TRP . 54.0 Cg_endo -69.74 1.58 4.3 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.45 117.75 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 135.55 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -108.66 107.83 18.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.29 127.01 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.537 HG23 HD12 ' A' ' 65' ' ' LEU . 66.4 p -129.27 -178.23 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 mttt 57.24 41.32 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 mt -96.04 -176.19 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' N ' ' OH ' ' A' ' 75' ' ' TYR . 70.1 mt-30 -113.98 138.06 22.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.722 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.33 42.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 25.9 t70 60.08 49.75 7.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 51' ' ' GLN . 32.7 m -141.81 143.0 33.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.0 m -86.12 125.82 33.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' N ' ' A' ' 70' ' ' GLN . 65.5 m-85 -119.21 115.92 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mm -82.37 133.45 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 48' ' ' VAL . 32.1 t -137.81 148.88 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -151.75 128.14 10.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.208 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 9.2 p -125.31 142.92 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HE ' HD11 ' A' ' 82' ' ' LEU . 15.5 ptt180 -140.32 144.3 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.749 HG23 ' CE2' ' A' ' 44' ' ' TYR . 3.1 m -82.7 99.44 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD11 ' HE ' ' A' ' 80' ' ' ARG . 5.2 mp -66.73 165.97 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -147.57 161.09 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 111.161 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 53.7 Cg_endo -69.74 -23.33 31.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -126.02 91.44 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.84 100.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 139.91 41.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.0 173.76 27.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -111.02 130.4 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 p -46.4 155.76 0.54 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 54.0 Cg_endo -69.8 136.63 33.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -38.87 115.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 42.8 m80 -101.73 107.99 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.16 104.73 4.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 55.4 m-85 -112.13 144.2 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -123.37 140.66 52.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 26' ' ' LEU . 22.2 p -94.71 144.25 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -46.82 142.54 4.84 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.09 68.15 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 158.63 56.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 m -64.28 159.4 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 62.97 132.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.61 9.29 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.3 t -70.24 157.84 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.1 p -131.19 102.56 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -89.51 -56.53 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -81.68 171.88 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.77 -52.99 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -86.51 131.21 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -113.26 168.0 10.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.16 172.32 35.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.46 156.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -84.03 41.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -40.1 -53.25 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.59 146.78 2.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' GLY . 3.8 t -89.56 73.63 7.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' SER . . . 37.88 69.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.11 60.03 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -89.29 92.63 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.034 HD12 ' CD2' ' A' ' 94' ' ' HIS . 8.6 mt -46.2 163.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -144.27 156.55 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 21' ' ' LYS . 57.3 tp -105.15 98.12 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG13 ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -68.1 -72.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' H ' HG23 ' A' ' 19' ' ' VAL . 14.1 tptt -135.0 99.46 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.675 ' HA ' HD23 ' A' ' 26' ' ' LEU . 5.1 ptpt -72.36 138.22 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.66 153.98 81.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -14.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -131.57 -7.89 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 11.2 tt0 -138.88 168.2 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 21' ' ' LYS . 9.9 mt -161.97 113.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.626 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.5 tt0 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 27' ' ' GLU . 5.2 mt -149.27 155.31 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -150.53 129.21 12.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.852 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 24.5 p90 -119.8 105.1 10.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.89 -45.38 2.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.11 -164.05 42.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 p -125.87 81.22 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -166.75 129.76 1.46 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.706 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 108.08 2.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.373 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -101.65 158.31 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -62.46 151.75 82.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 1.96 4.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.02 -163.54 11.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.29 -46.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.1 m120 52.41 42.64 31.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.65 148.88 21.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.9 m -102.64 172.2 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -142.45 133.14 25.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -99.24 120.74 40.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -106.41 134.64 49.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.608 ' N ' HD13 ' A' ' 46' ' ' LEU . 22.5 t-160 -136.12 119.4 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -114.02 131.75 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 49' ' ' LEU . 4.8 mp -121.29 153.72 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -141.53 170.55 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.551 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 10.3 mm100 -35.04 -63.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -129.74 33.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' ASN . 66.7 mt-10 -145.9 117.43 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.11 122.2 37.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 7.0 p90 -146.19 139.19 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -121.78 149.07 43.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 66' ' ' LEU . 8.1 pt20 -145.94 119.53 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -75.87 132.31 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -126.6 143.1 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.9 mt -88.17 -18.93 27.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -104.87 153.64 39.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.662 0.744 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.466 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 53.5 Cg_endo -69.81 3.2 2.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.319 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -123.71 131.91 53.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG11 ' HG ' ' A' ' 46' ' ' LEU . 9.2 p -125.88 142.07 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.491 HD12 HG23 ' A' ' 67' ' ' THR . 1.0 OUTLIER -114.96 110.95 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.532 HD23 ' OE1' ' A' ' 57' ' ' GLN . 14.9 mt -97.54 128.79 44.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.491 HG23 HD12 ' A' ' 65' ' ' LEU . 53.9 p -125.05 175.02 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt 60.16 42.9 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 32.1 mt -102.27 169.64 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -107.57 139.14 20.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.545 0.688 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 47.76 42.6 15.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.8 m -135.03 141.37 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.6 m -91.28 113.04 25.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 50' ' ' ASN . 78.6 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mm -67.84 142.2 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 28' ' ' LEU . 15.0 t -133.81 148.01 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -161.4 125.47 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.852 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 7.6 p -124.34 147.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -145.02 143.2 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.0 m -77.01 116.66 17.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.0 138.98 42.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 p -133.69 152.2 78.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.0 8.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.41 92.3 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.8 80.3 1.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 142.19 46.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.83 160.29 38.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.49 38.08 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' SER . 7.7 m-85 -83.66 119.74 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' PHE . 4.5 p -37.29 156.35 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.08 18.75 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.04 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.034 ' CD2' HD12 ' A' ' 16' ' ' LEU . 86.9 m-70 -81.93 -176.93 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.1 114.99 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -127.74 139.94 52.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -131.13 148.5 52.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.7 p -94.2 149.99 20.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -51.98 151.75 6.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.79 63.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.34 24.77 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.8 t 61.99 41.59 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.23 -95.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 171.35 14.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.0 t -49.97 109.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.7 t -79.32 -56.64 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -151.63 111.58 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -101.6 129.93 47.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.94 75.57 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -38.52 -53.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -106.15 170.1 8.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.02 53.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.04 88.93 2.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -115.54 153.23 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -112.37 82.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' SER . 22.3 tp -112.44 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' LEU . 25.7 t -35.23 -53.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.77 82.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD11 ' H ' ' A' ' 81' ' ' THR . 63.0 mt -144.67 135.19 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -144.5 108.92 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 28' ' ' LEU . 27.4 mt -66.85 112.02 4.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -108.3 137.59 46.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 21' ' ' LYS . 45.3 tp -88.31 107.98 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -87.76 -44.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -133.64 129.63 37.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.699 ' HB2' HD21 ' A' ' 18' ' ' LEU . 34.8 ttpt -114.77 87.81 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -105.82 157.54 34.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -21.87 32.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -134.89 28.42 3.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -168.5 149.17 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 98' ' ' THR . 66.9 mt -156.6 126.37 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' VAL . 46.8 tt0 -116.91 142.44 46.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 16' ' ' LEU . 5.5 mt -133.26 154.14 50.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 t -140.14 127.02 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.941 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 31.2 p90 -126.93 104.15 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -144.1 107.39 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.88 -99.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -125.52 141.55 51.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' CG ' ' HD2' ' A' ' 35' ' ' PRO . 28.2 ttp180 -64.59 142.53 98.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 34' ' ' ARG . 54.1 Cg_endo -69.76 162.54 41.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.748 2.299 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -78.02 -52.25 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' H ' ' ND2' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -98.94 120.29 58.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -178.14 2.2 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.61 98.31 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.72 83.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -67.94 129.99 41.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 82' ' ' LEU . 10.3 mt -122.17 162.2 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.423 ' C ' ' CG ' ' A' ' 44' ' ' TYR . 7.1 p -117.17 -176.2 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.658 ' CE2' HG23 ' A' ' 81' ' ' THR . 10.1 m-85 -157.22 139.0 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -98.2 123.14 42.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -109.14 132.85 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.477 ' N ' HD13 ' A' ' 46' ' ' LEU . 21.5 t-160 -133.03 112.95 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' C ' HD12 ' A' ' 49' ' ' LEU . 82.5 t -107.97 137.15 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -124.97 147.61 48.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 75' ' ' TYR . 29.1 t30 -139.86 175.08 9.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -41.37 -61.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -127.91 20.77 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' ASN . 21.0 mt-10 -137.69 114.7 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -134.14 113.01 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.3 p90 -132.4 159.29 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.457 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -132.59 133.65 43.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -138.08 129.04 27.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -82.06 128.25 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.17 138.15 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.9 mt -79.7 -27.94 40.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -93.96 148.97 36.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.75 3.03 3.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.351 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -127.43 127.46 44.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.0 p -116.31 144.01 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -120.37 107.99 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -98.44 138.18 36.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.422 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 47.4 p -135.84 172.09 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 67' ' ' THR . 7.6 mmtm 71.55 24.98 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 mt -81.0 173.39 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.85 142.19 24.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 148.11 63.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 12.4 t70 50.63 50.16 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.9 m -138.54 129.68 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -72.78 121.97 20.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 50' ' ' ASN . 61.1 m-85 -118.98 119.18 33.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.7 mm -89.55 133.35 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 28' ' ' LEU . 27.6 t -136.05 137.37 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' HD11 ' A' ' 16' ' ' LEU . 9.9 ptp180 -138.12 121.11 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.941 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 5.1 p -116.09 146.92 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -148.39 136.54 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.658 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.7 m -77.23 128.39 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.532 ' O ' HD22 ' A' ' 42' ' ' LEU . 6.2 mp -88.42 162.33 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -144.62 161.65 42.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.688 . . . . 0.0 111.16 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 83' ' ' THR . 54.2 Cg_endo -69.66 -24.57 30.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.374 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -125.87 91.24 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.02 97.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HA ' HG23 ' A' ' 83' ' ' THR . 54.0 Cg_endo -69.72 140.75 43.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.17 166.14 6.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -174.38 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 80' ' ' ARG . 12.1 m-85 -99.48 138.44 36.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 p -60.11 155.23 46.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.662 0.744 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.75 33.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 119.94 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 22.5 m80 -102.61 107.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -68.03 105.92 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 38.6 m-85 -116.49 149.55 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -127.76 132.99 49.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.716 HG22 HD11 ' A' ' 26' ' ' LEU . 77.0 p -81.02 169.06 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -64.52 142.82 98.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.34 30.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' CD ' ' HB2' ' A' ' 72' ' ' ASP . 53.5 Cg_endo -69.83 -26.53 27.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.5 p -149.74 133.8 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.7 135.79 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 127.0 13.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.228 . . . . 0.0 112.315 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.1 m -73.16 166.93 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.3 m -98.09 -46.23 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -131.98 169.42 16.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -64.06 112.01 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.33 -44.75 0.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -118.98 41.95 2.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -52.19 -54.82 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.78 -141.7 12.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.88 101.49 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 0.0 111.072 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -158.35 108.21 2.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -124.2 175.93 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' SER . 15.9 tp -89.16 108.5 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' LEU . 15.0 t -34.53 -42.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 159.36 -42.55 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 13' ' ' GLY . 7.4 mt 32.41 45.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.3 p -95.4 101.32 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD22 HD13 ' A' ' 28' ' ' LEU . 14.6 mt -58.0 107.38 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -106.71 139.4 41.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.0 tp -85.84 95.06 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -81.83 -48.64 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -122.39 116.99 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.75 88.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -111.31 151.37 43.13 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.674 0.749 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -23.03 31.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -124.58 8.25 8.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -150.7 156.15 40.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.0 mt -160.77 116.38 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.564 ' O ' HD23 ' A' ' 28' ' ' LEU . 30.0 tt0 -106.57 147.07 29.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 27' ' ' GLU . 17.7 mt -136.54 134.59 37.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' THR . 10.0 t -130.6 114.94 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.597 ' CZ2' HG21 ' A' ' 79' ' ' VAL . 37.2 p90 -116.97 104.4 11.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.91 165.26 35.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.26 -61.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.5 p -117.52 144.16 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -109.04 121.18 43.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.636 0.732 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 132.26 22.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.244 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.9 39.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -165.96 120.48 0.91 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 157.04 61.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.72 121.78 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 123.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -108.63 143.47 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -141.28 151.39 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -118.72 174.19 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -132.14 139.91 48.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -100.8 121.27 41.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD11 HG13 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -107.38 134.26 50.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 56' ' ' HIS . 20.7 t-160 -133.74 112.2 11.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.82 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 77' ' ' VAL . 63.9 t -106.49 136.89 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.652 HD11 ' NH1' ' A' ' 78' ' ' ARG . 2.9 mp -122.32 124.63 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' CG ' ' N ' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -95.91 171.05 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 50' ' ' ASN . 9.8 mm100 -40.79 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.03 32.64 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -151.35 163.06 39.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -152.92 126.95 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -140.91 150.13 42.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -128.68 150.03 50.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.34 128.62 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -81.61 131.99 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.8 m -118.98 140.89 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.19 19.65 10.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -145.19 153.67 53.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.728 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' A' ' 30' ' ' TRP . 54.1 Cg_endo -69.68 2.85 3.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.252 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -129.64 130.19 45.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.49 136.03 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.26 108.75 20.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.5 124.33 41.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -121.28 179.08 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mttt 59.4 45.33 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.09 174.89 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.476 ' NE2' ' HD2' ' A' ' 71' ' ' PRO . 10.4 mm100 -116.24 142.04 28.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.709 . . . . 0.0 110.962 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HD2' ' NE2' ' A' ' 70' ' ' GLN . 54.2 Cg_endo -69.74 141.97 46.76 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 72' ' ' ASP . 11.6 t0 59.48 50.89 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 90.4 m -141.58 138.66 32.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 96' ' ' PHE . 33.3 m -83.79 127.53 33.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -122.5 111.93 17.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.5 mm -84.99 138.77 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 48' ' ' VAL . 42.0 t -139.79 141.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.652 ' NH1' HD11 ' A' ' 49' ' ' LEU . 8.7 ptp85 -143.96 121.5 11.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.597 HG21 ' CZ2' ' A' ' 30' ' ' TRP . 8.8 p -115.58 142.79 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -147.29 140.66 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -69.62 125.95 28.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.21 141.96 31.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -132.9 153.33 80.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.856 ' HG2' HD23 ' A' ' 85' ' ' LEU . 53.3 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.856 HD23 ' HG2' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -125.32 92.73 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.18 80.13 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.99 64.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 80' ' ' ARG . . . -68.76 164.32 49.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.335 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -82.42 127.57 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 p -46.61 156.08 0.54 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.699 0.761 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.93 29.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -39.33 109.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 16.0 m80 -91.16 101.81 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 112.35 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' HIS . 35.0 m-85 -121.68 151.77 40.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.96 126.28 31.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 26' ' ' LEU . 60.7 p -79.11 151.01 31.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -53.86 153.29 8.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.38 63.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 157.75 59.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.4 t -64.95 -59.52 4.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.55 102.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.46 30.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -166.34 157.19 12.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 m -76.66 -56.77 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 0 0 . 1 stop_ save_