data_1mm4_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 1mm4 _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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.713 0.292 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.04 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -76.8 -30.92 56.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -42.22 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -58.82 -31.06 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.59 73.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.97 -37.88 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -30.86 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -30.66 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.41 -43.05 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mm -67.0 -30.91 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.22 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -49.13 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -36.17 76.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -62.68 -36.86 84.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.792 0.247 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.7 64.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.65 133.0 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 106.53 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -100.44 141.85 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.77 118.26 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.8 113.01 24.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.07 136.28 27.36 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 151.29 26.35 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.455 2.104 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.037 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.56 -155.63 23.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.499 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.57 14.22 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.56 162.58 25.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.8 p90 -148.42 142.82 26.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.9 -162.35 18.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mp -141.19 176.9 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.49 158.44 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -139.07 141.9 38.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -104.44 142.18 35.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -120.38 124.09 44.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.25 -21.1 21.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -91.13 25.99 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.274 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.72 52.36 39.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.05 133.83 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -115.4 102.04 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.73 130.78 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.17 109.99 1.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.7 120.13 38.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.766 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -144.41 146.81 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.98 109.97 11.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.75 140.83 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.92 138.36 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -114.77 128.41 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -115.29 113.11 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.07 168.61 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -82.46 -31.89 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -153.05 65.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -162.22 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.83 167.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -115.04 146.23 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.96 125.35 14.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.63 167.63 26.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.475 2.117 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -149.5 127.52 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.33 149.51 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.2 136.02 4.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -146.4 147.17 31.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.52 -168.45 32.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -131.81 147.26 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.1 152.04 31.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -109.62 117.32 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.4 m -88.82 122.48 32.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -109.23 126.27 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -107.35 139.36 20.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.09 174.37 10.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.491 2.127 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.38 75.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.74 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -155.66 171.13 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.36 61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.72 -39.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -126.98 121.8 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 142.97 44.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.72 127.33 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.85 171.26 23.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.71 150.43 17.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.64 -162.67 34.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -116.49 147.63 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -132.76 137.5 46.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.18 149.91 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 141.77 11.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.89 124.5 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -112.3 120.26 41.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.19 150.62 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.85 -177.61 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -169.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.16 -179.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -91.98 85.11 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -157.75 -53.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.17 178.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.1 pt -104.34 145.04 29.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -73.94 -168.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.359 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.97 92.39 44.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.49 147.12 70.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.112 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.3 m -152.04 143.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.59 117.35 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mt -137.65 147.63 58.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.3 146.42 50.85 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.53 2.153 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.72 152.97 42.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.2 140.71 52.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -103.64 135.13 45.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.25 116.18 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.83 111.03 4.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.72 115.0 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.56 -150.33 38.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.35 -6.55 19.03 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.634 2.223 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.75 154.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 10.2 m -118.05 144.04 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -127.34 133.84 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.5 mmm -94.1 144.05 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.09 124.1 51.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -105.55 144.97 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.96 99.95 6.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.42 151.94 65.63 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.458 2.106 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.92 146.28 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 10.7 m -104.24 97.93 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -137.45 -71.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -115.59 -61.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -105.41 -51.56 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.4 28.55 73.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -172.0 35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.6 m -86.2 133.36 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -112.98 129.53 56.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.93 162.18 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -142.75 139.77 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -137.43 151.78 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -94.11 140.63 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.04 137.57 39.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -88.4 124.76 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.9 117.07 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.99 -57.11 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.619 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -25.99 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.771 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -57.87 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.2 -42.37 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -65.05 -49.55 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.83 -31.65 71.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.23 -31.73 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.79 -53.06 23.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 tt -60.47 -44.68 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.24 74.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -52.81 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -31.9 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.25 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 44.7 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.88 0.283 . . . . 0.0 112.305 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.47 33.73 23.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 17.3 m170 -63.18 127.68 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.06 111.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.799 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.05 119.55 33.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.13 142.49 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -120.06 134.59 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.31 152.93 65.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 -171.37 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.239 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.89 178.63 16.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.23 147.67 5.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -114.7 145.15 18.58 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -152.0 152.79 32.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.42 -163.52 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.55 173.51 11.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.2 p -133.46 145.64 50.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -108.74 145.85 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -100.82 108.18 19.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.1 122.33 30.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.59 -15.52 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.486 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.06 2.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.02 46.47 44.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.56 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.08 144.25 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.05 92.01 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.95 143.37 55.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.06 110.0 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.05 123.07 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -155.49 151.54 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 159.61 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.0 ttm -133.97 163.55 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.78 138.02 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.97 106.98 17.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.89 130.24 34.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.545 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 12.7 p-10 -117.72 -177.46 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -12.3 30.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.372 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 15.93 12.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.361 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 55.29 81.52 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.767 0.318 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.545 ' N ' ' HD2' ' A' ' 77' ' ' ASP . 15.4 tttt -177.07 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.404 ' O ' ' CD1' ' A' ' 82' ' ' TRP . 39.3 p90 -77.93 126.15 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 124.87 61.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.7 143.66 10.82 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.653 2.235 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.2 tp -156.03 124.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.66 158.05 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.73 135.99 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -146.86 136.48 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.61 179.38 33.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -106.05 141.92 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -132.93 141.64 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -126.57 120.47 29.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.9 p -80.69 128.21 33.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -125.6 154.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -106.43 101.91 38.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.5 133.96 25.35 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.455 2.103 . . . . 0.0 112.25 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.59 81.16 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.27 -65.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.02 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.4 -45.55 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -136.23 62.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.07 102.49 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 128.36 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 tt -136.02 124.21 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.45 163.59 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.5 161.89 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.22 177.85 46.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -125.81 127.57 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.8 m -99.73 131.72 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.75 115.3 30.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.3 122.77 7.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 135.15 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.0 p -105.82 147.71 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.03 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 142.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.29 31.78 0.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -139.14 33.73 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 60.54 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 59.97 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.91 141.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 tp -79.56 135.86 56.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.19 159.87 2.5 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 90.53 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 154.89 66.82 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.478 2.118 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.06 159.06 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 mp -142.35 115.01 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 mt -135.8 142.64 41.38 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.59 138.22 23.81 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.46 2.107 . . . . 0.0 112.391 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.7 mp -132.54 173.9 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.56 167.93 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.86 121.51 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.23 122.95 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.76 -168.22 40.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -141.43 145.99 35.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.58 -144.06 41.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . 0.401 ' HB2' ' CE1' ' A' ' 160' ' ' PHE . 43.7 Cg_endo -68.16 -19.84 44.36 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.518 2.146 . . . . 0.0 112.393 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.96 111.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 131.76 31.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.4 129.89 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.07 116.18 31.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mmt -92.68 133.52 35.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 75.4 p -126.9 140.59 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -109.99 113.67 26.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.58 99.9 7.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.58 148.0 58.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.522 2.148 . . . . 0.0 112.316 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -60.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.4 m -116.1 151.28 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -99.23 31.14 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -137.4 29.81 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.31 -43.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.07 37.07 2.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 26.3 m120 60.65 106.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.77 99.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.62 133.4 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.18 164.01 12.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.55 155.07 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -133.31 148.77 51.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 16.8 mtm -89.16 138.24 31.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -122.8 130.46 52.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 136' ' ' PRO . 0.6 OUTLIER -133.6 135.84 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -86.3 139.63 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -133.79 175.23 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.648 0.261 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.15 -57.14 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.649 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.18 -25.9 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -76.78 -31.0 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mmm -77.4 -41.63 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -61.11 -29.77 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -42.06 85.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -38.94 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.68 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mm -73.61 -31.03 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.77 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -69.93 -45.05 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -59.82 -31.85 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.405 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -83.85 -61.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.777 0.24 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -167.99 33.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -121.76 144.08 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -115.84 103.14 10.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 152.91 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.15 119.16 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -93.69 112.97 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 155.73 80.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 159.77 50.25 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 112.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.8 -84.65 1.34 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.5 164.26 17.1 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 151.27 16.94 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -151.98 131.13 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.4 -151.04 6.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.55 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mp -141.59 176.15 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.6 m -135.45 160.61 37.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -136.22 162.15 33.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -115.58 133.7 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.77 126.48 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.31 -19.39 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -91.62 26.11 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.314 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.23 49.92 49.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.543 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.05 154.41 49.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -122.39 115.39 22.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -96.09 126.09 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.32 111.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -129.25 130.05 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -153.91 151.02 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.21 124.79 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.8 mtm -92.37 171.78 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.68 138.02 19.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.12 152.39 41.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG2' ' CD1' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -105.54 110.09 22.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.99 161.85 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -93.0 -16.77 24.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 2.3 p-90 -152.86 30.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -153.44 -166.99 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -91.7 163.15 14.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.419 ' CD1' ' HG2' ' A' ' 76' ' ' LYS . 10.8 m0 -60.2 142.27 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.84 124.94 29.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.71 157.34 35.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.494 2.13 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.0 mp -142.91 142.99 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 146.38 40.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.76 137.86 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -144.68 130.03 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.2 151.97 24.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.66 119.97 25.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -138.94 152.92 48.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -109.08 127.15 53.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.6 p -99.3 150.02 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.65 154.58 51.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 101.9 14.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.18 -169.76 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.482 2.122 . . . . 0.0 112.213 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mp -99.71 -33.79 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.5 69.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.23 147.33 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -112.38 -28.3 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.76 31.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -127.08 120.9 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -104.94 151.45 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.56 125.32 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.37 163.37 31.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.71 160.24 39.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -165.72 35.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.49 129.29 54.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -109.33 113.42 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.64 159.59 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.21 129.61 2.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p -116.09 140.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.3 p -120.02 159.46 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -114.63 142.01 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -154.93 136.23 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.85 41.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -104.15 109.46 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 67.28 -72.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.54 177.07 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.37 30.92 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 121' ' ' ILE . 27.2 mm -109.53 127.15 27.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 161.79 4.74 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.371 2.047 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -110.42 86.11 5.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 156.8 60.36 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.9 t -152.24 146.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tt -134.26 126.86 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 tp -147.85 138.86 13.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.62 137.62 50.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.528 2.152 . . . . 0.0 112.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.2 tt -143.78 152.8 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.73 138.97 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.6 p -106.68 140.82 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.82 124.93 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -93.95 116.1 5.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -123.37 114.88 20.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.58 -150.4 38.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.52 -5.39 16.83 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.629 2.219 . . . . 0.0 112.681 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.32 155.09 13.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 111.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.21 147.99 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -122.72 146.01 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.7 125.89 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 mtt -122.57 123.37 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 138.68 31.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -104.16 146.27 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.3 mt -136.01 135.78 21.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 128.27 15.61 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.465 2.11 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.23 -138.37 10.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m -119.51 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -172.09 136.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.26 -78.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.79 174.55 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.92 28.69 7.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -110.04 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.36 144.42 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -127.23 138.11 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.07 149.48 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.22 157.05 43.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -166.31 142.76 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.43 146.22 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -123.44 122.44 38.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.6 142.15 36.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -116.52 122.05 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -130.32 166.63 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.657 0.265 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -25.91 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -67.28 -39.36 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.1 mmm -60.25 -31.55 70.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -31.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -69.99 -31.28 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.95 -55.9 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.06 -31.04 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -71.07 -30.92 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -73.24 -39.32 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm -70.89 -42.8 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.37 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -38.6 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.15 -32.32 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -72.56 -31.73 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.798 0.249 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.21 -64.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -113.03 178.69 4.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.07 165.11 13.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.01 123.56 32.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.69 124.69 42.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -107.2 127.43 53.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 28' ' ' ILE . 10.5 tt -143.37 134.95 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 161.01 47.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.46 2.107 . . . . 0.0 112.281 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.097 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.28 -96.54 2.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.13 165.49 12.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.35 159.08 23.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -151.45 152.81 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.77 -164.86 37.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -131.96 173.7 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 168.3 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.77 177.96 9.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -140.05 106.99 5.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.66 142.92 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -59.81 -17.2 34.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.569 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -89.76 26.13 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.583 0.23 . . . . 0.0 111.294 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.79 52.7 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.587 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -132.0 157.08 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -132.1 109.95 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -124.64 137.18 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.85 141.17 8.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -105.32 130.81 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.0 145.16 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.2 110.77 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.92 163.42 15.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.43 138.2 29.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -102.97 156.19 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 119.93 39.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.12 -177.41 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -78.38 -34.66 48.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -109.09 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -175.59 78.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.66 77.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -60.67 105.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.58 124.96 91.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.1 137.38 19.28 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.165 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.3 mm -141.38 134.69 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.81 151.46 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.38 8.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 70' ' ' LEU . 1.7 t80 -105.48 149.25 26.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.67 147.2 18.72 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -139.09 125.39 20.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -133.9 153.05 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.35 135.16 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 140.75 48.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.95 141.2 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.1 136.92 28.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.78 -73.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.55 2.167 . . . . 0.0 112.261 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -173.9 36.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.82 30.8 20.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.54 -34.23 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -103.28 -22.85 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 66.07 30.9 9.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.03 126.85 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.78 129.13 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 tt -123.04 119.94 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.86 162.41 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -145.33 126.09 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -165.3 -160.22 12.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 4.0 m-85 -134.9 151.43 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.5 t -118.27 117.94 30.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.18 120.51 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.23 -169.53 16.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.06 137.85 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -135.68 156.62 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.16 140.16 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -85.95 166.21 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -59.79 112.99 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.6 m95 60.57 -176.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -173.35 105.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 120' ' ' TYR . 2.5 p90 -153.74 -46.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 120' ' ' TYR . 2.6 pt -97.92 143.15 25.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.17 153.17 40.81 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 tp -116.69 88.59 25.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.83 136.12 34.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.582 2.188 . . . . 0.0 112.313 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.49 125.16 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.04 117.44 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 mt -144.28 140.09 16.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.05 157.94 42.28 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.487 2.125 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -157.71 177.55 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.41 129.38 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.0 p -99.67 118.73 36.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.5 m -128.07 118.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.52 -160.38 33.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -146.0 144.48 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.59 -143.7 41.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.0 -20.36 44.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.555 2.17 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 t -90.6 110.94 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 25.2 m -137.81 128.95 27.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.13 126.85 35.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.64 134.17 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.27 118.24 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.17 123.57 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -114.9 133.45 55.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 15.3 tt -106.32 136.03 19.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 169.98 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.453 2.102 . . . . 0.0 112.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.49 -152.92 7.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.13 -45.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 153.05 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.29 -33.76 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -80.57 140.5 35.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.01 5.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.72 132.9 37.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.39 107.8 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -100.77 134.75 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.96 142.46 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -108.14 145.42 34.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -148.26 126.45 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.39 126.96 41.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -117.62 123.17 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -125.34 131.36 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.17 134.17 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.64 133.42 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.657 0.265 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.19 -49.48 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -25.83 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.567 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.66 90.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.31 -31.02 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -68.37 -31.28 70.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.44 -37.49 87.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -73.42 -32.02 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -32.77 47.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -74.18 -40.21 62.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.3 tt -68.5 -44.29 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.54 98.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -53.27 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -60.58 -31.4 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -31.45 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.786 0.244 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.06 -31.81 44.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -116.14 128.15 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -111.04 115.14 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -103.9 162.21 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mp -147.41 114.77 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.36 130.15 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.1 pt -134.21 133.09 21.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.34 -174.26 2.13 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.534 2.156 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.7 m95 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.7 92.52 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.68 171.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.15 33.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -115.45 173.95 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.33 156.98 24.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 177.98 8.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.807 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.3 p -172.26 154.05 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -131.44 179.12 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.67 132.62 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.25 122.64 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -18.67 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 26.15 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.289 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.58 42.51 95.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -132.11 157.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -111.91 100.47 8.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 142.47 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.35 141.42 12.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 tt -154.02 114.05 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.77 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -136.5 162.69 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.24 129.99 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.1 mtt -128.18 177.06 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.06 138.01 29.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -106.12 141.29 37.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -84.94 145.38 27.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.86 -173.74 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -31.92 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 -69.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -166.84 92.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -169.24 124.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -114.94 131.24 56.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -120.77 124.99 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.98 159.69 41.12 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.398 2.066 . . . . 0.0 112.392 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.9 pt -144.32 135.14 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.77 146.76 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.94 135.98 5.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -145.41 140.68 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.4 22.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -129.89 144.1 51.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.57 148.07 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -99.79 140.78 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.95 147.97 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.39 117.32 6.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -125.11 148.85 61.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -29.19 21.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.567 2.178 . . . . 0.0 112.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tp -162.15 36.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.63 70.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.93 162.93 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -109.02 -28.8 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -58.98 -61.92 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -114.54 132.73 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -144.03 162.14 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.4 pp -152.1 144.78 24.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -159.87 -178.54 33.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.03 157.09 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.7 -164.45 35.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.93 157.85 19.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.0 m -138.94 132.1 29.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.02 113.97 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -97.62 129.97 10.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.97 126.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 42.5 p -130.7 128.46 40.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -106.69 135.37 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -112.22 95.29 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.62 92.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.21 -51.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -130.77 -61.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -127.38 -178.38 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -100.48 94.86 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.17 92.99 37.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.31 154.06 15.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.529 2.152 . . . . 0.0 112.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.64 89.26 27.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.97 145.02 44.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.57 2.18 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.8 m -147.09 120.98 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.13 123.27 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 mp -146.23 140.96 15.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.39 149.52 13.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.619 2.213 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -158.52 179.23 9.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.69 175.34 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -160.04 118.03 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 9.3 p -143.99 133.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.81 -166.08 35.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -145.9 147.07 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.93 -150.95 35.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.13 -7.49 21.09 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.581 2.187 . . . . 0.0 112.603 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.01 116.43 50.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 t -138.01 147.27 44.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.41 ' CZ ' ' HE1' ' A' ' 158' ' ' MET . 20.2 m-85 -108.91 143.42 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -122.67 125.21 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 80.7 mmm -106.44 156.18 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -141.01 120.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -100.25 155.86 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.4 tp -99.28 134.08 21.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 135.32 29.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.84 128.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.6 t -143.65 79.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 148' ' ' TYR . 43.8 p90 -69.54 123.01 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.6 m120 68.24 -68.29 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -171.42 -175.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.26 28.42 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.543 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.63 103.94 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.2 m -94.9 130.66 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.88 136.27 48.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.72 161.0 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -136.58 138.11 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -129.38 151.77 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' MET . . . . . 0.41 ' HE1' ' CZ ' ' A' ' 139' ' ' PHE . 7.4 mmt -93.28 135.53 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.81 141.26 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.36 134.46 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.33 119.79 40.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.01 178.58 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.765 0.317 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -57.03 4.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.995 0.426 . . . . 0.0 110.579 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -25.84 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -45.47 57.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mmm -61.69 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.3 p -59.82 -38.57 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -77.99 -31.4 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -35.47 80.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -59.63 -32.71 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -31.28 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -76.64 -44.94 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.8 mm -67.59 -39.05 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.3 -49.32 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.5 p -72.94 -31.44 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -60.94 -32.08 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.816 0.257 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.21 32.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.41 106.59 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.493 ' HD2' HH11 ' A' ' 159' ' ' ARG . 1.2 t70 -103.98 139.73 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -138.97 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.29 125.83 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.3 pt -158.61 147.77 14.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.47 -173.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.4 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.56 -141.98 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.21 -177.89 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.49 153.05 21.12 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.55 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -145.65 142.06 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.14 -163.52 24.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -127.33 177.95 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -155.95 169.13 25.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -132.51 154.04 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -136.13 132.12 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.19 141.4 50.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.35 -18.5 28.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.433 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -89.9 25.99 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.79 47.49 75.27 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.545 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.22 96.91 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -103.63 92.94 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.86 143.09 54.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.92 119.41 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.559 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 mt -144.68 114.1 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -151.8 164.88 36.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.93 120.08 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.07 168.63 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.09 137.93 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.85 135.17 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 145.63 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.27 -176.01 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 p -83.55 -28.03 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -138.63 -46.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.782 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -108.11 178.21 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -60.17 107.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.83 124.9 85.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.08 142.52 13.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.554 2.17 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.92 117.03 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.62 148.24 25.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.184 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.97 3.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -156.83 152.5 26.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.42 -173.48 39.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 92' ' ' SER . 12.4 t90 -98.16 144.1 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -136.11 135.57 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.404 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 87.6 p -134.23 130.89 37.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -119.82 147.65 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -122.3 159.02 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 150.2 43.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.16 -44.78 1.06 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.612 2.208 . . . . 0.0 112.238 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -176.71 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.06 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.33 28.74 13.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.72 75.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -175.22 -77.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -99.02 138.07 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -114.17 116.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.37 122.11 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.7 -172.91 38.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mt -132.8 170.99 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.05 146.88 8.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.7 142.29 27.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.46 132.44 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.95 114.04 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -97.5 134.62 11.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.23 126.79 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.7 p -109.11 116.78 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -107.13 142.64 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -121.56 -176.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -142.21 33.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -69.58 -64.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -126.54 -51.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -135.77 155.52 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.22 101.91 5.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.3 mt -131.66 92.91 29.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.36 143.52 53.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.455 2.103 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.35 88.05 3.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.87 153.36 63.89 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.0 m -154.01 130.46 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 mt -99.59 125.63 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.7 mp -147.99 144.08 18.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.01 149.23 41.38 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.4 tt -152.92 149.99 28.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.59 165.68 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -140.77 118.59 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.82 122.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.23 -163.94 33.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.611 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.8 139.7 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.84 -141.0 45.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.69 -23.22 42.65 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.493 2.129 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.54 110.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.3 m -130.75 112.88 13.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 156' ' ' ALA . 7.4 t80 -85.13 122.49 29.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -110.78 158.23 18.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 25.7 mtt -129.63 122.53 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.9 m -101.03 129.94 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.09 133.2 51.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 tp -93.43 133.62 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.91 153.28 58.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.425 2.083 . . . . 0.0 112.221 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.58 98.95 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.78 86.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 -67.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -108.93 144.45 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.3 -172.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.02 30.45 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -110.34 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.59 142.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.79 134.44 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -105.71 133.12 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 139' ' ' PHE . . . -102.53 158.89 15.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -154.8 158.22 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 ttt -111.64 132.67 54.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.493 HH11 ' HD2' ' A' ' 25' ' ' ASP . 15.0 ttp85 -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -110.46 137.74 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.59 121.6 36.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -111.38 153.26 26.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.748 0.309 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.13 -57.05 4.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.87 -25.84 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -64.36 -42.71 96.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -63.3 -46.39 86.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.3 p -60.41 -48.8 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -60.53 -40.95 93.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.24 -33.22 69.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -35.22 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.25 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -76.49 -53.45 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 tt -59.95 -35.2 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.005 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.82 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.62 -37.12 76.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -74.05 -37.96 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -60.47 -53.96 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.799 0.249 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -139.12 -72.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -130.53 142.63 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.69 113.18 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -103.73 129.06 51.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -107.25 124.21 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CD2' ' CE ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -100.06 113.28 25.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.1 mt -138.23 135.63 18.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.59 179.73 4.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.395 2.063 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.867 0.365 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.15 -131.13 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.15 -175.84 45.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.584 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.7 -176.0 37.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 26' ' ' LEU . 22.1 m-85 -151.26 173.75 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.74 44.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.2 155.94 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.2 m -128.59 144.76 51.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.24 155.93 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -112.69 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.95 -22.86 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.399 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -70.82 -24.97 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.77 41.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -132.01 156.07 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.13 96.89 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -68.12 134.48 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.52 111.66 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.422 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -130.11 121.04 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 27' ' ' TYR . 2.4 p90 -156.42 159.62 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.22 127.01 51.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.43 ' CE ' ' CD2' ' A' ' 27' ' ' TYR . 1.9 ttm -118.95 144.68 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.3 138.04 53.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -103.84 141.46 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 119.32 24.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 -23.59 27.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.261 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -147.81 -51.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -65.31 -176.4 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.802 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -72.34 176.87 4.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -86.82 145.51 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.1 tt0 -101.66 125.24 37.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 17.3 Cg_exo -66.71 160.69 45.17 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.414 2.076 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.471 HD13 HG21 ' A' ' 85' ' ' ILE . 31.1 mt -147.03 151.93 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 147.32 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.18 137.65 6.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.9 p90 -152.47 134.77 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -173.39 33.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -135.99 148.6 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -142.56 152.96 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.9 m -85.6 141.08 30.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -117.63 143.53 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.405 ' HB3' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ppt_? -128.85 101.91 19.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.29 178.21 3.87 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.433 2.089 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 mp -91.62 89.34 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.11 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -127.2 165.94 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.87 -32.39 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -55.45 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.78 129.39 39.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 95' ' ' ARG . 8.7 m-70 -143.91 149.2 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 mp -140.35 121.32 14.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.47 160.12 25.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -141.5 153.34 44.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.91 -159.98 22.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -122.05 150.92 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.93 139.42 48.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.31 152.12 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.62 160.08 27.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.6 m -148.0 117.05 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.44 113.5 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.59 159.07 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -177.97 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -118.12 -44.39 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -129.89 30.43 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m0 59.34 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -144.79 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -118.72 146.96 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.97 156.61 90.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.07 140.07 80.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.642 2.228 . . . . 0.0 112.121 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 tp -105.77 89.04 3.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 156.14 58.94 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.528 2.152 . . . . 0.0 112.252 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.74 144.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.2 mt -143.22 114.98 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.8 155.36 44.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.95 147.0 54.3 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.5 tt -143.08 147.8 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.15 143.19 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.6 p -127.4 114.03 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 m -139.82 131.29 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 157.67 -154.45 25.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.572 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -79.61 147.23 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -47.85 -61.2 4.95 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.967 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 27.3 Cg_endo -62.47 -30.04 79.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.541 2.161 . . . . 0.0 112.311 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.95 110.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.4 p -116.67 147.97 41.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CZ ' ' HE1' ' A' ' 158' ' ' MET . 1.6 m-85 -89.89 133.65 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.731 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 130.67 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.4 mmm -125.91 118.21 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -99.63 131.22 45.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 144' ' ' ILE . 53.5 t80 -132.88 159.05 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 0.2 OUTLIER -139.37 147.09 51.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 170.1 19.33 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -148.69 -164.88 11.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.589 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.8 -33.74 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.5 -55.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.73 114.73 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.94 -35.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.38 24.57 53.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 t30 57.42 39.07 28.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.02 112.15 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -138.02 142.98 40.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.27 145.96 40.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.64 161.31 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.07 169.65 17.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' MET . . . . . 0.421 ' HE1' ' CZ ' ' A' ' 139' ' ' PHE . 13.1 mtt -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -133.93 124.91 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -103.37 147.08 27.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -123.17 134.39 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.13 133.8 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.819 0.342 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -77.04 -57.04 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.94 -25.94 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.89 -39.62 72.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mmt -77.88 -33.8 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.1 p -59.98 -30.13 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -58.73 -31.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -67.61 -50.11 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -32.68 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.07 -32.57 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -72.08 -39.77 68.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -74.2 -40.71 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.09 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -50.85 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -60.55 -35.45 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -53.82 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.802 0.251 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -103.87 -31.88 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.45 150.07 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -128.88 137.86 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -120.62 165.5 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -139.67 132.35 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CG ' ' HE1' ' A' ' 73' ' ' MET . 1.2 t80 -112.47 113.16 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -126.44 135.93 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 143.25 47.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.447 2.098 . . . . 0.0 112.263 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.16 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.9 -174.74 46.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.592 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -146.23 6.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -125.05 173.96 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 71' ' ' TYR . . . -145.14 142.6 10.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.93 178.06 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -170.11 168.06 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -131.92 169.5 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -105.76 153.53 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HD2' ' HZ3' ' A' ' 64' ' ' LYS . 1.2 t0 -142.48 123.18 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.74 -20.12 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.519 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HZ3' ' HD2' ' A' ' 62' ' ' ASP . 9.2 pttt -89.8 26.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 111.442 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.35 43.4 96.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.448 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -132.1 157.05 45.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -143.76 125.31 14.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.92 141.9 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.09 116.53 3.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.599 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.2 141.02 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' CE1' ' HA3' ' A' ' 57' ' ' GLY . 11.5 m-85 -145.31 151.62 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.3 109.99 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.416 ' HE1' ' CG ' ' A' ' 27' ' ' TYR . 1.8 mtt -120.16 178.08 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.3 138.0 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -131.76 153.78 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.95 139.17 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.03 -169.6 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -28.65 65.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -97.92 28.82 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 56.04 30.53 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.33 111.83 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -69.24 116.42 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -102.4 124.95 37.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.83 162.58 37.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.2 119.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.73 134.86 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.22 136.04 8.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.95 152.97 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.53 -162.81 31.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.47 149.26 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -137.47 138.2 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -135.6 105.23 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.4 p -92.09 140.17 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -134.3 128.24 33.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -137.12 142.86 39.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.1 -174.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.459 2.106 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.63 51.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.36 33.11 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.42 -52.8 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.55 -30.58 12.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 62.61 37.97 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.82 130.08 46.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.03 121.73 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.43 120.04 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.13 177.07 31.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 137.93 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.08 151.74 22.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -101.73 140.93 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.04 121.53 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.42 114.07 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.85 15.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.06 123.54 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 m -116.13 138.11 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -146.84 127.62 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -117.71 137.69 52.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.27 161.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -106.51 -28.68 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.995 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -49.39 76.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -79.1 -54.52 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 59.52 84.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 121' ' ' ILE . 24.5 mm -128.67 92.8 39.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.39 148.68 70.18 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.49 2.127 . . . . 0.0 112.245 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.07 75.97 78.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.42 134.71 12.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.1 m -154.01 128.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.194 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.35 125.71 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.2 99.82 21.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.08 134.34 19.36 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.525 2.15 . . . . 0.0 112.344 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pp -141.9 161.77 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.72 127.8 42.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 117.71 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 13.3 m -143.97 125.88 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.63 -162.36 31.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -146.02 146.13 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.08 -149.93 29.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.62 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.58 -11.13 29.29 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.625 2.217 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.69 121.34 52.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 148.02 44.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -129.54 130.74 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.99 143.26 33.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.2 mtp -111.9 121.44 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 14.7 p -99.72 143.2 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -116.57 121.26 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 pt -140.87 99.9 6.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 163.83 37.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.25 -159.13 8.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.8 m -91.64 79.74 5.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.84 177.03 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.63 -50.17 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -90.1 -68.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.86 36.72 65.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.14 35.89 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -78.06 131.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -129.07 137.08 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -113.09 148.72 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.5 148.89 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -130.91 161.31 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.37 128.97 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -130.81 119.45 22.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 120.86 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.11 121.6 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -133.51 155.25 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.676 0.274 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -57.05 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.642 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.52 -25.89 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.722 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -77.64 -30.82 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -46.27 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.3 p -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -60.1 -44.66 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -44.22 77.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.6 -54.57 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.4 tt -59.83 -34.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -55.07 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.51 -31.55 70.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -73.37 -48.11 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -44.17 97.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.85 0.271 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.91 136.88 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -103.8 140.18 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 52.9 m-85 -75.12 111.44 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.08 144.66 30.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.81 141.02 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -127.84 115.38 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.06 158.41 67.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.88 159.57 3.62 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.59 2.193 . . . . 0.0 112.28 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.72 -157.3 42.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.37 -175.6 45.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.38 136.35 13.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -152.05 136.93 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.19 -156.09 9.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.26 178.01 7.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 p -141.07 168.2 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -151.87 160.61 43.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -104.66 139.03 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.45 123.7 49.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.69 -18.78 45.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -92.78 26.11 2.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.258 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.98 48.49 47.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.04 156.22 46.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.84 98.82 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -71.79 132.91 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.55 109.99 0.73 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.67 124.32 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.738 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.415 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.1 p90 -119.08 123.41 44.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 110.03 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.5 mtt -105.0 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.7 150.17 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.73 127.86 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD2' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -90.6 96.93 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -69.94 151.81 45.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 p -59.44 -21.47 60.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -68.47 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.75 -76.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -82.26 154.22 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.414 ' CE3' ' HD2' ' A' ' 76' ' ' LYS . 37.8 p90 -93.19 156.53 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.761 ' HE2' ' HE ' ' A' ' 115' ' ' ARG . 24.3 mt-10 -106.12 124.85 34.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 170.6 12.99 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.603 2.202 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 tt -156.0 118.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.01 144.89 25.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -140.74 136.02 7.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.61 113.95 11.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.18 166.86 24.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -135.39 128.69 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -138.74 153.01 48.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -106.79 126.62 52.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 p -110.7 140.58 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -124.27 135.29 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 155.15 45.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 162.37 42.25 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.482 2.122 . . . . 0.0 112.284 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.71 71.99 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.05 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.66 149.13 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -97.93 37.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -96.0 -57.87 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.69 132.27 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -136.64 137.68 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 tt -145.05 119.87 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.02 170.39 33.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.58 163.07 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.75 37.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -115.8 142.97 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.407 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 31.1 p -117.04 110.98 18.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.23 119.83 36.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -126.42 178.75 16.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.51 147.9 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -119.88 128.61 53.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -139.95 131.66 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.761 ' HE ' ' HE2' ' A' ' 83' ' ' GLU . 24.1 mmt85 -67.87 170.19 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -105.14 -31.92 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -164.77 118.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 -72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.59 92.97 43.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.62 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.595 2.197 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.6 tp -128.01 88.75 52.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.42 153.24 70.74 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.588 2.192 . . . . 0.0 112.286 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.2 122.72 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.34 125.93 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.6 mt -148.03 149.09 31.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.46 141.22 41.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.587 2.191 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.9 149.02 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.8 -179.59 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -164.32 120.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.84 134.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.02 34.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 134' ' ' TYR . 2.7 p90 -145.9 146.54 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.24 -146.08 37.2 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 -17.43 43.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.517 2.145 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.26 111.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 m -138.0 123.9 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -91.93 121.44 33.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -105.34 140.58 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.9 129.29 55.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -113.78 130.02 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.53 122.71 48.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.37 135.76 28.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.17 133.82 18.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.148 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.03 -108.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.9 m -127.62 -45.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -164.91 32.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -161.48 111.91 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -108.94 172.76 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.37 35.73 8.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -160.87 -49.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.97 123.01 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -138.0 138.14 38.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.08 150.19 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -125.75 168.02 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -160.77 139.04 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.91 136.73 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.04 139.15 54.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -140.79 127.81 20.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -104.8 116.37 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -136.54 178.41 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.725 0.298 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.567 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.21 -25.88 66.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -74.23 -30.31 62.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -31.82 63.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -59.83 -52.89 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -60.29 -31.21 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -68.01 -45.79 73.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -45.45 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -35.61 80.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.81 -30.97 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.61 58.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.2 96.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.0 p -60.04 -54.05 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.93 -31.58 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.895 0.289 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.8 176.83 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.15 160.82 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -103.04 106.89 17.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -81.09 124.51 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.69 143.11 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 96.9 m-85 -131.97 113.44 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.29 144.77 33.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.2 -168.07 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.483 2.122 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.78 164.1 10.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.08 -157.56 20.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.9 143.44 14.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -152.02 132.26 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 -171.04 39.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.07 177.95 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 p -132.89 158.86 41.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -125.83 147.48 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 48.1 p-90 -106.97 131.13 54.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.28 115.51 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.08 -22.84 30.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -70.8 -23.27 62.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -132.07 157.04 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.418 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 53.8 t-105 -134.58 97.0 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -67.93 126.03 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.75 109.92 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.32 114.7 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.761 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -130.26 142.97 50.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 109.88 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -94.53 175.58 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.03 138.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 83' ' ' GLU . 3.2 p90 -124.99 140.06 53.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.97 123.57 39.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.42 148.07 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -64.86 -19.78 66.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -151.1 35.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -157.33 -163.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -82.32 -176.49 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -102.36 137.34 40.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.9 mm-40 -95.08 125.0 52.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.29 156.3 16.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.593 2.196 . . . . 0.0 112.42 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 pt -156.12 122.73 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.0 153.99 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.203 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.68 136.03 4.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.409 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.03 -166.2 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.545 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -117.34 131.95 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -130.63 150.91 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -106.6 130.52 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 t -89.45 145.21 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 107.98 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -111.57 120.86 41.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.07 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.25 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.2 -50.11 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.11 88.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -146.47 50.1 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 60.99 31.73 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.2 79.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 0.2 OUTLIER -90.66 141.98 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.06 122.89 48.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.82 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.76 142.6 11.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 tp -157.48 125.06 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.62 -162.55 26.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.6 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.88 160.4 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 m -137.53 133.71 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.83 139.46 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.07 -141.16 3.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.8 m -131.82 136.04 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 t -134.17 149.29 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.13 118.94 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -153.23 93.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.52 -178.45 4.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -114.11 104.61 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.23 33.48 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.09 110.5 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 81.96 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.9 tt -136.05 92.89 15.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.82 122.54 10.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.81 140.28 20.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.6 134.59 22.52 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.367 2.044 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.23 137.36 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.4 tt -135.61 120.35 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -145.65 147.65 33.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.34 158.09 52.16 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.56 2.174 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.06 171.83 16.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -170.44 153.3 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.3 t -140.95 123.19 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.77 134.84 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . 168.16 -157.12 29.17 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.81 145.37 36.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 56.87 -147.58 33.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.94 -15.53 40.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.49 111.02 25.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 m -138.14 129.05 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -82.22 120.2 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 117.9 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 12.6 ptm -111.09 125.75 54.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.7 m -117.94 146.03 44.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 153' ' ' VAL . 2.4 t80 -121.75 132.48 54.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -119.07 99.91 50.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.99 167.66 25.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.443 2.095 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 142.41 -85.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.0 165.31 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -60.24 -67.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 60.21 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -108.14 35.4 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.42 36.74 89.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -136.36 44.58 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 143' ' ' TYR . 5.4 m -121.03 102.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.03 137.2 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -110.74 122.04 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.97 156.89 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.87 136.95 11.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.76 119.77 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 39.2 ttt180 -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.44 147.0 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -96.77 133.46 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.23 161.1 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.07 -57.08 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.12 -25.94 65.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.715 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -70.05 -49.63 49.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -35.07 74.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -60.13 -31.76 70.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -77.11 -38.0 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.06 -36.74 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.45 97.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.16 -35.13 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.36 -50.29 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.3 tp -66.48 -37.89 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.4 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -73.52 -58.38 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -35.12 74.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -74.13 -30.73 62.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.832 0.263 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -74.95 -31.66 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.29 160.95 40.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.85 113.94 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -118.8 150.29 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.56 134.62 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -111.01 119.55 39.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 pt -138.52 154.11 73.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.57 178.47 3.81 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.606 2.204 . . . . 0.0 112.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.772 0.32 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.96 -178.89 43.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.409 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.05 -178.36 37.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -145.94 161.77 28.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -152.02 142.82 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.42 -155.26 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 177.17 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -143.41 140.39 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 6.7 ttm-85 -121.55 149.58 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -113.91 140.0 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -110.59 137.9 47.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.73 -20.15 32.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.392 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 26.08 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.696 0.284 . . . . 0.0 111.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.52 56.44 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.616 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -131.95 156.17 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 100.54 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.407 ' CD2' ' HD2' ' A' ' 60' ' ' ARG . 86.5 m-70 -68.46 126.01 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.41 109.97 3.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.9 119.89 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -152.95 158.56 42.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.95 109.89 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.44 168.97 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.3 138.06 13.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -107.97 107.0 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.93 97.03 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -108.61 147.29 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -30.18 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -110.15 36.34 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -156.12 -83.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.09 162.06 0.34 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -115.06 121.33 42.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -142.45 124.99 9.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.73 166.0 15.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.403 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -156.12 140.08 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.0 140.79 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.38 165.34 29.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.638 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -144.27 152.98 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -161.18 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -142.95 150.01 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -107.38 119.4 39.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.4 p -98.59 141.17 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -151.99 144.78 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.51 142.69 25.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.21 -165.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.477 2.118 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -112.31 31.07 6.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.87 -59.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.66 129.55 52.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.76 36.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.412 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 69.5 m-20 -127.42 -46.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -68.2 132.32 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -98.61 135.55 39.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mt -145.29 119.53 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.57 174.56 31.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.0 mt -144.85 156.29 43.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.48 -162.07 27.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.73 147.3 48.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.9 p -126.13 137.97 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 129.99 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.54 140.77 16.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.87 124.43 73.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 m -115.06 134.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.32 145.81 24.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -134.78 135.92 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 60.23 175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -111.29 -37.85 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -71.9 -35.67 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -109.22 100.17 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -85.86 86.27 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.58 105.38 43.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.63 143.33 61.88 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.365 2.043 . . . . 0.0 112.245 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.77 86.07 2.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.1 128.97 13.56 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.592 2.195 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.58 120.99 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.59 140.83 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -147.91 135.97 11.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.87 139.56 85.73 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.408 2.072 . . . . 0.0 112.075 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mp -149.93 161.42 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -143.12 147.13 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.0 t -118.0 114.35 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.98 124.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.17 -163.7 27.3 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.572 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 101' ' ' ASN . 9.8 t80 -144.61 141.47 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.36 -142.59 42.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.87 -21.8 43.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.085 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.58 128.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.1 m -132.73 126.29 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 156' ' ' ALA . 3.0 t80 -93.04 124.99 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -108.6 121.09 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 15.1 mtt -107.48 147.73 30.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 62.3 m -130.02 137.74 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -119.01 148.66 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 pt -107.63 141.82 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.51 170.04 21.16 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.502 2.135 . . . . 0.0 112.266 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.15 -177.33 29.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.6 t -90.25 109.76 20.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.11 31.2 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -97.2 83.0 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -139.98 109.22 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.59 28.02 13.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.09 -48.59 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.39 124.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.12 140.89 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.91 135.75 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 139' ' ' PHE . . . -107.33 151.62 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -146.18 152.94 40.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.49 124.24 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -119.44 106.11 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.68 140.0 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.31 118.78 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -127.92 160.71 31.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.713 0.292 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -77.07 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.76 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.49 -25.93 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.763 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -72.89 -31.81 64.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -48.14 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -59.4 -41.32 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.4 p -61.76 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -41.35 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -75.68 -38.24 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -61.63 -57.0 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.59 -33.82 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.44 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -79.06 -30.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -70.78 -32.04 69.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -93.27 -46.49 7.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.835 0.265 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -99.44 -49.11 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 124.93 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -111.07 102.95 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.38 132.37 48.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 144.94 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 127.64 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.71 135.52 21.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.7 174.19 12.17 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.46 2.107 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.32 -157.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.46 161.86 34.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.96 149.96 18.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.81 134.51 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.11 -162.62 20.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -130.85 177.97 7.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -139.58 164.34 30.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.22 136.05 11.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -108.33 131.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -100.78 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -22.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -92.59 26.08 2.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.82 52.88 34.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.07 102.41 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -88.48 105.59 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.19 126.03 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.29 134.6 7.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.28 113.96 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -127.07 149.81 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.73 110.04 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 ttt -93.19 169.03 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.94 137.95 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -115.35 106.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -90.17 111.32 22.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.97 150.85 33.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -84.65 -17.02 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -52.87 -64.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -128.54 -76.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.57 169.24 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -72.41 151.06 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -115.06 124.93 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.38 147.4 22.81 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.472 2.114 . . . . 0.0 112.376 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 tp -156.07 117.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.43 157.82 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.55 136.11 4.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -156.98 148.98 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.25 -168.93 35.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -107.75 149.89 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -140.94 145.27 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 p -121.56 103.69 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.9 t -77.97 119.06 20.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -113.28 153.82 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.61 137.86 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 -167.87 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.501 2.134 . . . . 0.0 112.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 138.04 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.54 31.15 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -168.9 122.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -106.44 -33.67 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -60.29 -31.19 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -82.67 132.68 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -121.23 138.32 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.44 122.98 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.31 -178.52 16.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.15 143.09 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -167.55 -174.93 37.03 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -114.16 146.97 39.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.84 114.45 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.44 121.18 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -108.17 136.91 13.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.566 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.95 136.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.8 155.96 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.75 152.19 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -101.19 -179.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -79.91 -43.53 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.89 111.65 23.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -64.3 94.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -130.75 -48.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -105.8 168.46 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.9 pt -80.69 159.13 69.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.76 165.39 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.574 2.182 . . . . 0.0 112.254 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.01 86.39 53.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.03 156.6 55.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.86 141.33 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.2 mt -93.64 134.68 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.8 99.87 4.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 141.86 42.32 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.556 2.17 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 pp -161.71 171.59 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.34 158.69 25.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -116.44 132.74 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.26 120.36 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.01 111.01 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.58 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.19 114.98 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.65 -150.89 30.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.13 -7.25 20.3 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.671 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.99 155.02 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.7 p -136.28 138.3 41.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.71 145.97 47.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -130.77 116.78 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mtt -104.62 135.94 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.55 146.03 29.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -129.86 134.66 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.34 110.78 28.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 145.46 58.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.388 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -106.25 45.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER 67.68 -69.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.413 ' CD1' ' HB ' ' A' ' 147' ' ' THR . 16.2 m-85 -105.93 29.27 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.63 88.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -175.28 138.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.93 90.66 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.583 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -64.28 167.81 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.87 132.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.17 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.06 150.34 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.81 134.96 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -143.34 140.07 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.4 ttm -96.94 146.61 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 144.92 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.84 122.72 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -100.93 119.34 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.02 152.56 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.1 -57.02 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.632 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.09 -25.99 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.681 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.58 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.79 -31.52 72.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -51.11 27.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -63.29 -33.14 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.66 -39.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -63.63 -31.6 72.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.56 -31.46 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -71.2 -52.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -36.37 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.54 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.92 -41.67 70.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -82.74 -30.92 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.67 -31.87 57.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.846 0.269 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -122.18 -52.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -77.94 128.3 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.409 ' CE2' HD23 ' A' ' 58' ' ' LEU . 5.8 m-85 -124.49 156.43 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -121.21 142.89 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.6 mp -131.68 126.41 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 126.32 52.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 tt -158.94 138.82 8.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.41 149.72 22.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.456 2.104 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.33 120.7 3.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.97 147.27 10.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.87 173.47 35.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -152.02 148.95 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.84 -174.29 28.35 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD23 ' CE2' ' A' ' 24' ' ' TYR . 19.4 mt -128.97 163.03 26.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.18 165.94 28.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -145.51 147.08 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -86.84 137.72 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.3 129.29 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.84 -23.58 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.513 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.88 26.08 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.29 51.73 54.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -131.44 157.12 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -126.42 96.89 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 1.1 m-70 -106.38 141.65 37.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.57 160.35 24.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.95 155.88 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.54 142.47 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.66 115.26 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 177.66 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.99 140.76 40.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.25 150.09 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -112.55 140.29 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.41 175.15 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -79.53 -30.16 41.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.13 29.91 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.65 90.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -156.74 76.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.63 117.02 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.53 134.02 25.05 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.64 163.53 31.6 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.511 2.141 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.52 119.27 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.55 125.8 43.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.78 141.71 11.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -155.44 148.3 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.85 -159.29 21.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 41.0 p-90 -138.37 149.83 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -138.48 146.41 42.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.08 100.25 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -90.84 144.32 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -131.36 142.96 50.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 142.58 56.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -82.89 7.35 5.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.723 2.282 . . . . 0.0 112.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.89 157.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 62.37 31.05 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -155.71 -58.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 59.87 37.17 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -146.11 -50.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.95 152.98 44.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -131.69 128.08 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.77 131.88 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -172.37 -163.26 25.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.36 170.97 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.49 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.37 144.94 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.7 t -131.68 147.01 52.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.99 122.66 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -108.17 119.49 5.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.24 117.61 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 m -107.28 122.44 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.28 158.85 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -121.6 121.46 37.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.8 -29.04 32.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -57.8 -42.09 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -176.39 93.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -176.52 126.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.413 ' CD2' HD12 ' A' ' 121' ' ' ILE . 16.5 t80 -83.11 -60.49 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.413 HD12 ' CD2' ' A' ' 120' ' ' TYR . 26.7 mm -101.2 135.74 19.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.55 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.37 2.047 . . . . 0.0 112.384 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.9 mt -123.49 86.42 52.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.83 148.99 41.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.589 2.192 . . . . 0.0 112.354 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.7 m -153.95 160.24 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mp -130.18 132.92 46.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.02 147.48 26.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.22 158.01 52.71 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.534 2.156 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.85 160.89 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.05 143.51 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 m -113.84 120.79 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 130.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -161.92 175.19 38.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.571 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.4 115.0 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.67 -119.02 15.63 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.562 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.06 -37.31 2.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.548 2.165 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.8 m -75.43 135.48 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 18.1 m -138.04 148.01 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -130.53 141.67 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.03 121.93 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -114.62 125.37 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.9 p -115.41 144.87 43.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -111.66 113.21 25.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 155' ' ' PHE . 1.7 pt -125.8 99.9 31.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 137.88 33.96 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.506 2.138 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.82 -94.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.0 p -88.78 177.05 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -103.0 157.88 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -162.7 -63.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.17 35.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.14 34.75 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -174.99 149.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.36 110.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -106.88 134.61 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 144' ' ' ILE . 49.2 m-85 -107.45 116.1 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.9 146.1 28.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -141.92 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 145.2 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.01 151.03 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.14 147.05 48.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.86 124.95 50.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.49 144.88 25.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -77.09 -57.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.602 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.89 -25.94 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -74.86 -40.48 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.5 mmt -76.36 -30.74 57.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -59.17 -28.96 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 p -57.9 -34.79 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -45.4 41.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -35.18 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -39.18 84.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.36 -47.23 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.75 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.91 -36.79 72.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.85 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -81.86 -39.45 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.773 0.239 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -167.29 33.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -94.07 135.44 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.18 113.95 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.602 ' HD2' ' HB2' ' A' ' 159' ' ' ARG . 18.7 t0 -105.26 134.66 48.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.37 137.68 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 121.08 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 tt -140.69 126.62 11.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.85 121.67 8.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.2 -112.7 4.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.601 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.96 150.28 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.75 149.83 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.35 144.29 9.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -111.86 155.68 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.89 141.45 40.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -147.22 118.22 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.92 135.89 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 122.33 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.55 -21.83 18.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.393 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 26.12 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.234 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.17 52.13 38.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.56 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.03 154.68 49.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 115.44 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -110.12 132.63 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.12 127.34 3.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.17 153.69 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -126.91 118.05 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.05 110.06 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 tpp -114.01 163.63 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.1 138.19 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -130.15 153.03 48.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 82' ' ' TRP . 10.0 tttp -98.45 102.87 14.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HD2' ' HG3' ' A' ' 83' ' ' GLU . 6.3 m-20 -62.15 156.85 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 t -70.43 -30.05 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -67.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -176.79 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.5 177.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 82' ' ' TRP . 6.4 m95 -112.89 147.59 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HG3' ' HD2' ' A' ' 77' ' ' ASP . 1.6 mt-10 -88.53 124.83 65.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.88 150.17 20.82 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.157 . . . . 0.0 112.407 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -141.93 116.99 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.03 157.93 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.95 162.21 27.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -143.13 133.83 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.31 169.4 24.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.642 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -131.84 149.07 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.28 153.06 41.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.4 m -103.71 132.25 50.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.47 134.6 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -151.93 139.08 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -120.51 101.89 45.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.39 -45.25 38.89 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.479 2.119 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.96 -179.23 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.94 41.48 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -107.69 -51.02 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.84 27.81 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 56.5 31.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.14 125.82 25.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -115.54 153.13 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.1 tt -147.78 143.16 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.34 137.03 7.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.78 136.38 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.92 -166.54 38.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -126.02 159.59 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.5 p -132.85 146.98 52.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.11 113.95 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -102.63 124.25 8.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.7 m -115.98 131.39 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.1 p -135.48 154.01 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.79 159.01 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.79 -172.46 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -106.7 35.83 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -147.22 73.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 65.73 -76.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.95 -174.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.789 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.66 104.83 56.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.01 146.13 76.17 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.64 120.61 80.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.01 166.0 25.49 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.132 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.07 120.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tp -96.23 124.47 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.98 146.06 22.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 143.5 40.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.381 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mp -147.6 160.93 42.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -133.93 -176.57 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.4 p -170.32 157.55 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.94 123.38 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.02 113.13 4.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -129.63 114.92 16.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.14 -149.49 30.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.596 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.64 -10.84 27.27 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.609 2.206 . . . . 0.0 112.598 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.8 m -104.65 155.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.1 125.74 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.54 138.62 42.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.69 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.6 mtt -107.06 155.99 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.3 m -129.85 136.61 49.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.61 122.37 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.39 99.87 12.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.73 125.94 10.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.443 2.095 . . . . 0.0 112.325 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.12 172.12 41.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 t -105.42 77.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.15 -179.07 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -72.43 -34.84 68.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -106.64 -48.42 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.32 33.55 77.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.99 91.88 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.39 132.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -124.45 133.41 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.87 140.01 38.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -118.89 136.86 53.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 119.1 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.0 141.52 28.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.602 ' HB2' ' HD2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -143.8 153.98 42.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.95 129.35 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.84 128.16 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.45 146.13 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.677 0.275 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.05 -57.09 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.76 -25.9 64.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.761 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -71.79 -30.19 65.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 tpt -59.37 -30.13 68.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 p -58.66 -36.06 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 m -75.52 -41.87 54.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -69.76 -31.04 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -56.12 -30.53 62.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -42.35 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.43 -41.88 84.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.85 -30.3 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.4 41.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.77 -44.86 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.9 m -59.44 -39.16 82.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HG3' ' CD1' ' A' ' 61' ' ' TRP . 55.3 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.872 0.28 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -134.26 31.34 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -65.02 137.8 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -106.94 122.02 45.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -117.13 115.94 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tt -103.02 119.32 38.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -113.2 150.75 31.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.12 153.54 29.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.92 -168.15 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.159 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.95 171.73 4.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.558 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.2 141.41 3.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.16 -174.24 24.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -127.14 174.11 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.41 153.88 25.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.52 177.95 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -144.15 150.49 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -151.22 139.47 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.404 ' CD1' ' HG3' ' A' ' 21' ' ' PRO . 63.3 p-90 -91.04 131.26 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.95 127.8 54.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.39 -22.22 11.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -91.22 26.09 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.255 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.45 51.28 53.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -131.99 157.01 45.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -131.01 90.14 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -70.39 137.21 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.72 131.73 6.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -88.36 142.55 27.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -124.5 118.33 26.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.32 109.97 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.13 178.05 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.45 138.02 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 83' ' ' GLU . 16.8 p90 -113.15 122.23 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 140.41 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -120.01 169.19 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -71.16 -29.35 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -119.16 -42.06 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.39 119.34 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -53.95 140.96 29.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -59.95 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mm-40 -146.2 124.97 6.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.39 169.63 16.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.476 2.117 . . . . 0.0 112.417 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.7 tt -155.91 123.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -123.65 144.36 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.24 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.34 177.17 43.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.412 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 11.0 m-85 -119.31 151.49 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.03 157.61 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -114.52 147.27 39.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -146.94 152.97 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -129.21 114.1 15.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 p -81.61 143.77 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.88 154.35 50.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -97.13 144.74 28.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.03 -167.69 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.5 2.134 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -122.97 -43.83 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.79 42.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.58 156.63 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -116.75 -34.48 4.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.05 35.35 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -124.06 140.6 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -123.87 144.58 49.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.04 129.43 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -161.56 178.12 37.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -142.39 168.56 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.59 -173.34 44.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -130.16 137.44 50.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.8 m -112.51 130.08 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.75 114.04 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.13 143.98 15.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.22 127.56 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 m -103.68 113.93 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.84 122.62 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -69.83 151.59 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.69 -30.96 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 36.96 2.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -151.65 -177.91 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.86 -162.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.799 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 71.12 157.38 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.905 0.383 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.89 153.48 92.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.1 -173.76 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.569 2.179 . . . . 0.0 112.357 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.8 tt -128.01 98.98 26.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.62 153.6 64.86 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.384 2.056 . . . . 0.0 112.224 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.5 m -153.97 129.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.6 mp -112.8 129.28 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 mt -138.18 125.14 13.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.78 153.62 61.32 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.411 2.074 . . . . 0.0 112.188 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.18 159.75 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.88 162.9 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.98 118.04 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.01 124.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.38 -167.98 41.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -145.93 146.96 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.23 -146.26 36.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.42 -17.35 44.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.3 113.61 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 127.83 34.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.42 130.71 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 115.98 28.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.9 mtt -101.34 126.53 48.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.23 140.05 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -109.49 159.05 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 11.4 tt -134.15 100.0 13.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.27 139.61 53.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -139.01 111.6 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.5 m -94.3 133.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 60.36 31.63 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -146.08 -169.99 3.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -167.14 160.21 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.97 29.25 4.4 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.96 115.34 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.5 m -107.71 129.95 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.76 137.59 55.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -106.01 119.61 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.71 133.01 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -129.2 144.21 51.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 23.1 mmm -92.73 147.88 22.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -137.8 135.71 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -117.92 146.94 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.26 140.47 36.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.99 118.65 14.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.637 0.256 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -56.99 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.6 -25.76 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -76.29 -34.44 59.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 ttm -63.78 -38.5 91.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -43.05 92.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.3 t -78.03 -31.42 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -30.95 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -57.99 -35.11 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -78.89 -31.27 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -72.68 -48.19 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.35 -46.32 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -67.08 -47.28 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 m -64.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -46.31 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.792 0.247 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.31 82.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -151.93 152.91 33.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -84.17 143.34 29.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -122.89 126.49 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 132.89 55.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.44 113.55 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 mt -129.73 136.02 28.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.51 101.16 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.431 2.087 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 8.4 m95 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 -81.98 1.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 -158.85 51.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.96 147.87 19.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.548 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 p90 -150.58 146.14 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.71 -144.97 5.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.73 169.08 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.71 140.9 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -109.39 147.6 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -113.43 144.67 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.94 130.67 52.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -56.28 -20.5 18.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.483 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -90.76 26.08 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.669 0.271 . . . . 0.0 111.287 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.59 54.25 27.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.584 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 114.76 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -104.89 97.7 7.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.97 148.9 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 121.66 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -132.04 123.57 27.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -152.98 132.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.97 118.35 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.94 143.33 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.22 139.01 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -105.99 108.91 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -83.09 135.99 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -92.63 -179.13 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.7 p -76.58 -31.18 57.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -112.79 -70.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -168.7 93.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.23 52.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -61.81 125.51 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -99.68 125.06 41.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.08 126.25 9.8 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.503 2.136 . . . . 0.0 112.318 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.476 HD11 HG23 ' A' ' 85' ' ' ILE . 23.5 mt -149.67 154.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.75 152.4 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.27 135.96 5.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.537 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -156.94 145.09 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.21 -172.9 32.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 22.0 m0 -101.1 149.99 23.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.41 131.55 30.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.54 111.3 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -95.47 142.55 27.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -123.42 126.79 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.405 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 2.5 ptt85 -124.47 101.82 33.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.93 -49.31 17.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.457 2.104 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.71 -50.72 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.9 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.37 -57.09 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.09 -74.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -176.11 37.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -102.82 125.27 49.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 95' ' ' ARG . 71.0 m80 -133.07 149.01 52.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.56 123.84 15.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.56 -159.48 9.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.84 160.2 35.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.7 -170.29 26.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 90' ' ' TRP . 17.4 p90 -142.1 123.25 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.0 p -103.12 131.7 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.63 116.51 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.09 150.64 19.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.65 130.96 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 t -135.1 110.25 8.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.0 138.25 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 110.82 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.49 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.68 37.27 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -159.96 -45.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -93.86 -178.65 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -133.02 37.68 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -119.84 92.92 47.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.29 -168.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.547 2.165 . . . . 0.0 112.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -123.26 88.15 51.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 150.5 49.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.64 2.227 . . . . 0.0 112.312 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.98 123.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.55 139.41 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tp -148.03 108.05 3.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.05 144.06 16.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.544 2.163 . . . . 0.0 112.635 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.36 -178.96 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -116.71 144.18 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -110.21 126.67 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.93 114.97 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.65 111.01 4.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.55 114.96 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.823 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.23 -150.65 40.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -3.32 13.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.691 2.261 . . . . 0.0 112.75 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.02 155.09 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 111.211 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 144.61 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.43 145.97 48.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -132.69 152.38 51.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.93 118.46 21.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 23.8 m -93.97 116.87 29.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -141.78 121.78 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.8 mt -104.82 99.98 21.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 134.29 27.41 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -145.39 168.48 27.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.4 t -116.2 118.21 32.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 60.38 33.29 20.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.74 -43.19 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 60.55 175.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.12 42.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -81.83 120.84 25.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.58 123.25 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.76 115.47 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.04 139.93 38.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.73 140.22 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -129.93 147.27 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -110.88 138.38 47.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.5 144.0 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -127.98 146.89 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -124.75 131.01 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.39 119.2 38.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.645 0.259 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.17 -49.92 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -79.72 -25.87 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -68.34 -32.45 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -77.92 -31.13 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 p -69.21 -42.1 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -34.76 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.97 -31.02 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -56.34 -31.2 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -36.95 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -70.41 -45.36 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.3 pt -65.22 -35.97 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.98 -56.73 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -56.22 -48.0 77.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -62.83 -29.74 70.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -59.44 -55.19 37.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.921 0.3 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -110.02 -31.91 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -152.44 179.98 8.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.43 143.31 50.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -136.0 163.37 30.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.77 133.95 40.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.77 114.37 22.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.33 151.75 72.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.19 149.93 20.73 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.562 2.175 . . . . 0.0 112.369 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.415 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.9 165.42 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.45 45.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.53 -175.7 45.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.69 174.04 11.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.46 163.78 29.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.96 178.01 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 151.46 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.78 169.85 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 67' ' ' TRP . 43.3 m95 -110.62 138.83 46.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -114.62 126.14 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.63 -21.83 11.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.45 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 26.05 2.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.265 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.59 65.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.399 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -132.02 157.09 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.318 . . . . 0.0 111.007 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 61' ' ' TRP . 24.2 m95 -118.58 98.63 6.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -68.03 142.94 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.51 125.09 2.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.83 150.42 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -139.99 120.85 14.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 110.01 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.3 mtt -117.34 162.34 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.12 137.94 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.11 157.07 35.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.38 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.58 151.04 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -79.09 -3.22 44.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -139.44 -47.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -83.8 -171.33 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -172.33 2.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -62.42 128.23 35.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -100.64 124.93 40.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.28 163.07 25.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.406 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -147.94 117.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.34 148.31 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.39 145.37 11.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -156.89 116.19 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.41 169.03 25.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.622 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -121.56 121.78 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -111.57 153.02 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.44 121.36 44.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 t -74.08 145.32 44.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.91 107.91 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -109.36 146.9 34.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 179.52 5.32 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.473 2.115 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 tp -106.75 63.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.44 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -106.86 131.98 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.39 34.3 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -107.71 -51.54 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.43 118.95 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -106.18 134.48 49.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.98 135.42 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.6 130.97 5.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 128.4 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.7 -159.94 25.4 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.562 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.79 162.82 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.3 m -139.28 118.07 12.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 114.07 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -124.84 156.9 18.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.0 140.13 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 135.43 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.4 139.89 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -174.79 91.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.46 -174.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -92.75 -52.52 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -98.18 105.76 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.82 108.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -132.37 -69.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.45 139.2 34.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 177.97 8.07 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.541 2.161 . . . . 0.0 112.393 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -113.34 89.16 14.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.98 152.22 73.34 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 m -150.03 123.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 123.69 48.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.43 156.55 49.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.9 147.77 94.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.571 2.181 . . . . 0.0 112.154 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.33 148.21 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.64 133.75 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.9 p -117.11 150.4 38.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.3 118.81 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.03 114.14 4.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.89 114.96 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.52 -150.49 38.04 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.74 -5.99 17.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.645 2.23 . . . . 0.0 112.731 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.3 m -112.34 155.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.68 125.15 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.39 143.6 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.14 147.29 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 28.7 mtt -154.98 133.76 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.7 t -114.58 135.46 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.91 157.59 17.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 tp -100.64 133.01 21.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.2 132.25 20.68 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 145.7 146.65 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.476 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.14 33.73 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.44 167.47 2.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.63 118.69 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.4 170.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.95 28.51 56.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.25 149.72 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.73 129.45 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -111.82 138.31 48.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -104.07 133.65 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.75 168.02 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.97 162.31 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.3 mmt -110.41 138.44 46.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -129.44 152.35 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.54 141.76 46.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.26 118.22 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -105.1 124.67 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.722 0.296 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -76.95 -57.06 4.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.36 -26.0 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -78.98 -30.58 44.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -59.65 -39.97 86.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -30.89 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -68.98 -52.58 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -59.56 -30.54 68.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -45.44 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.87 -41.14 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 10' ' ' PHE . 18.2 mt -73.14 -30.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.5 -55.09 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.82 -31.54 69.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 p -72.23 -30.02 64.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -75.22 -44.84 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.724 0.218 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 62.71 110.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -143.29 135.59 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -90.22 135.46 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.868 ' HD2' HH21 ' A' ' 159' ' ' ARG . 1.7 m-20 -126.67 121.39 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.43 129.42 55.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -124.98 112.98 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -139.97 138.78 20.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.8 161.61 4.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.066 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.38 54.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.82 176.78 47.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.25 161.33 26.02 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -149.01 139.59 22.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.95 -164.79 30.81 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.13 178.04 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -154.49 170.76 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 138.05 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -103.83 136.05 44.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.5 120.69 42.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.36 -23.24 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -26.11 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 42.5 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -132.03 155.2 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -140.18 101.45 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -98.96 137.29 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.66 124.35 2.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.646 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 tp -121.2 128.87 52.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.651 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 p90 -158.19 166.04 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.6 109.91 21.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.7 ttt -99.21 171.97 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.636 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.53 137.96 4.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.368 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -128.21 106.9 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.482 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 82' ' ' TRP . 35.3 mttm -125.51 129.02 48.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.51 -169.29 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -86.8 -28.94 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.28 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -106.03 -159.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.24 27.57 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.428 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -64.51 157.3 27.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -154.27 157.26 32.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.185 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.68 153.46 26.37 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pp -156.05 133.8 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.62 158.04 45.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 -162.39 36.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -131.47 153.01 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.38 130.8 6.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -108.82 137.75 46.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -154.98 153.07 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -100.75 122.04 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -93.78 147.74 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -144.69 148.25 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 101.95 48.91 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -46.29 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.11 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.53 178.45 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.48 37.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.18 -66.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -141.56 -47.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -176.61 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.99 103.29 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 134.07 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.52 116.0 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.1 175.02 34.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mp -142.84 169.33 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.25 -161.34 30.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -133.68 132.92 41.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -96.14 120.66 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.3 125.24 46.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.08 162.3 23.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.7 m -146.13 143.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.228 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.2 m -112.44 125.47 54.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.64 143.44 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -90.28 -179.35 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.84 -35.34 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -76.24 -27.8 56.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 63.79 91.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.61 139.74 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 60.19 -177.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.98 148.03 91.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.37 -168.06 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.617 2.212 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.2 90.6 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.06 149.14 71.05 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.498 2.132 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 144.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mp -136.91 126.15 24.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.84 133.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.37 126.02 9.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.404 HD23 ' CZ3' ' A' ' 157' ' ' TRP . 3.4 mp -129.83 170.88 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.94 123.4 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -90.94 114.05 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.72 122.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.89 -168.29 40.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.98 147.09 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.49 -148.31 44.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.24 -11.28 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.599 2.199 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.32 128.77 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.01 131.38 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -102.19 138.66 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -114.41 139.3 49.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.4 tpp -121.09 118.87 30.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.54 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -150.52 124.14 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.14 122.92 72.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 169.85 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.464 2.11 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.5 135.2 4.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 79.13 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.92 141.3 40.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.79 37.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -163.69 115.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 98.1 29.65 7.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.0 90.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.57 120.98 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -127.7 124.04 36.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.62 151.77 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.4 139.59 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.404 ' CZ3' HD23 ' A' ' 129' ' ' LEU . 9.5 m0 -121.19 165.7 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.2 mtt -104.83 145.54 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.868 HH21 ' HD2' ' A' ' 25' ' ' ASP . 59.3 ttt180 -129.84 135.09 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.2 124.14 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -98.69 113.04 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -94.43 137.27 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.04 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.4 -26.01 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.32 -43.54 70.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.08 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -59.58 -39.61 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -69.76 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.81 -38.07 89.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -70.96 -31.3 67.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.61 -56.99 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 pt -70.47 -34.11 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.46 94.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -33.5 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 m -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -73.83 -29.24 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -94.3 -68.96 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -158.96 170.42 22.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -115.17 140.98 48.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HD2' ' HB2' ' A' ' 159' ' ' ARG . 2.1 t70 -141.18 124.49 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -102.21 146.64 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 124.98 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.5 149.57 44.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 177.65 5.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.7 172.95 23.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.56 166.63 18.05 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.15 141.86 13.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.42 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 7.4 m-85 -148.0 153.62 39.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.89 -166.54 39.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -135.16 176.53 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 142.48 43.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -107.03 142.08 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -108.32 135.95 48.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.23 130.77 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -14.82 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.498 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.88 26.03 2.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.745 0.307 . . . . 0.0 111.308 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.8 48.22 28.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.661 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.06 154.05 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.73 103.08 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.4 126.0 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.25 109.92 2.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.571 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mp -123.46 130.26 52.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.06 156.82 42.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.21 113.67 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -111.53 154.1 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 152.38 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -138.05 155.7 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 97.0 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -173.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.4 m -81.59 -2.97 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.428 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.2 20.58 8.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.718 0.294 . . . . 0.0 111.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.2 m120 54.3 30.52 12.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.18 45.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -87.29 113.14 22.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.21 124.97 85.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.33 143.45 19.69 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.123 . . . . 0.0 112.405 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.9 116.99 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.41 139.91 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.02 136.02 5.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.37 -179.47 42.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -122.96 145.51 48.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.82 153.0 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 t -113.01 128.29 56.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.96 136.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -148.58 159.0 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -130.62 148.05 68.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HG2' ' CE1' ' A' ' 102' ' ' PHE . 50.5 Cg_exo -53.66 -172.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.586 2.191 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tp -102.77 31.82 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.98 -64.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.67 170.82 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -109.96 54.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -102.42 -49.54 3.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 96' ' ' PRO . 45.9 p90 -111.47 136.26 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -116.47 162.14 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.72 124.62 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.68 147.81 18.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.53 126.66 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.54 -160.02 23.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 149.04 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -132.79 117.18 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.83 139.16 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 176.38 21.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.04 137.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.282 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.44 137.44 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.77 123.04 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -169.68 117.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.56 171.0 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.86 -68.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -76.81 -67.88 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -173.51 142.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -171.27 169.59 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 tp -93.43 135.09 25.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.61 167.44 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.592 2.195 . . . . 0.0 112.081 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.03 88.5 5.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.19 131.11 10.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.619 2.212 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.73 121.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.9 118.5 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.0 mt -147.87 156.04 44.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.26 130.93 23.7 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.6 2.2 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.3 170.56 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -151.42 124.32 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m -123.35 162.04 23.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.42 135.8 58.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.01 113.17 4.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.588 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.44 115.01 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.09 -150.24 40.44 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 -4.08 14.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.581 2.187 . . . . 0.0 112.791 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.49 155.09 15.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 111.236 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.4 m -134.03 108.17 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.03 146.0 49.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -136.18 160.06 39.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.816 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.94 158.49 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.1 m -132.0 126.16 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -148.16 140.87 24.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.7 mp -92.62 110.78 47.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -50.98 158.49 3.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.486 2.124 . . . . 0.0 112.383 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.4 -156.2 18.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.6 t -176.75 147.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -140.96 -47.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -162.9 -65.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -100.4 -35.2 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.62 27.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.48 -169.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.78 130.47 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.37 136.47 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -105.05 138.07 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.09 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.49 157.11 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 11.4 ttm -134.18 149.98 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.412 ' HB2' ' HD2' ' A' ' 25' ' ' ASP . 6.4 ptm180 -151.86 128.2 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.89 146.98 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -110.71 130.2 55.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.25 138.49 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.695 0.283 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.96 -57.12 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.693 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.72 -25.9 64.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -74.73 -32.19 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mtt -78.11 -46.52 20.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -59.39 -46.94 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 t -59.84 -44.26 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.67 -46.09 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -34.86 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.03 -34.48 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.43 -52.04 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -64.19 -33.2 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.065 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 t -58.63 -30.43 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.877 0.282 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -95.86 -46.61 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -145.6 126.83 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 133.52 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.84 150.37 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 56' ' ' PHE . 1.3 tt -133.39 125.32 28.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -91.83 114.41 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.57 155.07 49.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.13 177.41 3.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.7 m0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.76 100.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.56 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.91 -157.33 26.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.415 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 26.7 m-85 -136.48 174.03 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.53 170.57 43.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mp -127.28 177.89 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.15 157.39 43.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -145.49 149.84 35.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -94.74 139.74 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -114.6 127.11 55.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -51.36 -23.36 3.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.625 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 26.11 1.8 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.68 0.276 . . . . 0.0 111.312 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.27 48.13 87.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.0 130.19 41.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -108.29 99.29 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 138.54 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.75 120.19 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.542 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.8 pp -123.7 120.97 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 27' ' ' TYR . 55.5 p90 -140.99 162.73 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.87 119.24 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ptp -117.6 172.54 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.09 142.4 26.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -112.31 126.21 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -122.03 115.71 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -175.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -31.26 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -83.45 -77.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -170.2 34.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.88 81.17 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -111.48 131.54 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.13 141.59 18.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.07 156.65 38.36 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.599 2.199 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 85' ' ' ILE . 23.4 mt -150.36 124.27 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.47 157.91 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.6 136.76 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 70' ' ' LEU . 11.3 t80 -157.01 128.89 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.02 -159.66 15.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 51.4 p-90 -138.38 150.01 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.96 143.09 33.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 m -88.31 111.11 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 p -79.89 148.88 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.4 136.02 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -123.41 151.56 63.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 -23.02 28.76 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 0.0 112.415 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.06 79.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.54 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -109.56 -25.82 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 63.69 79.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -152.72 -46.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.31 111.0 21.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.76 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -111.24 148.09 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.6 161.14 30.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 tt -159.62 140.74 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.56 -159.98 23.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 6.8 m-85 -120.32 149.32 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 68.7 p -129.94 136.56 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 114.02 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.2 136.97 13.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.01 139.49 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -146.36 131.49 18.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.04 130.31 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -153.16 102.77 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -168.14 -178.2 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -104.01 112.14 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.4 m0 59.9 36.27 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.33 161.73 38.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -139.44 77.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt -108.27 109.81 61.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 119.78 6.81 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.78 98.99 7.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.27 156.53 64.34 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.354 2.036 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.19 130.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.18 120.07 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 99.95 4.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.789 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 55.8 Cg_endo -70.13 141.37 43.56 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.496 2.131 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pp -155.36 170.9 20.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.46 157.49 43.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 p -130.62 130.49 44.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.56 132.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.46 -149.08 21.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.616 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.41 147.27 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -45.98 -58.53 5.54 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 25.7 Cg_endo -62.24 -30.77 81.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.417 2.078 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 m -136.84 110.92 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.79 148.03 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -102.28 124.69 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.09 139.84 39.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.13 118.18 30.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -103.46 127.1 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.46 119.52 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.95 129.73 55.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -73.55 127.48 11.78 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 90.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.56 -57.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -158.35 -46.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -152.65 169.79 21.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.63 33.09 8.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.27 103.84 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.14 148.2 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -107.25 127.58 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -105.89 120.25 41.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.51 155.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -148.19 138.62 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.9 mtt -90.85 144.85 25.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.26 135.6 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.08 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -126.17 115.29 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.95 -175.16 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.83 0.348 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.07 -46.78 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.88 -22.11 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.326 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.04 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -76.8 -30.92 56.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -42.22 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -58.82 -31.06 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.59 73.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.97 -37.88 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -30.86 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -30.66 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.41 -43.05 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mm -67.0 -30.91 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.22 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -49.13 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -60.11 -36.17 76.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -62.68 -36.86 84.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -28.18 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 62.64 149.12 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.52 -175.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.7 64.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.65 133.0 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 106.53 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -100.44 141.85 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.77 118.26 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.8 113.01 24.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.07 136.28 27.36 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 151.29 26.35 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.455 2.104 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.77 110.23 19.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -122.83 166.54 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.9 m -162.79 107.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -65.02 -77.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 62.83 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.04 158.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -71.03 -40.1 71.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -138.41 126.11 22.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.38 91.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -75.81 130.36 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.68 165.38 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -120.87 129.87 53.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -85.38 141.65 29.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.49 169.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 m 61.15 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.46 -177.71 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.02 -172.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -82.98 157.22 23.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -81.27 153.75 26.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.89 117.51 30.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 91.69 2.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.46 112.19 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -103.43 -49.79 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.56 -155.63 23.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.499 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.57 14.22 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.56 162.58 25.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.8 p90 -148.42 142.82 26.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.9 -162.35 18.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mp -141.19 176.9 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.49 158.44 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -139.07 141.9 38.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -104.44 142.18 35.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -120.38 124.09 44.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.25 -21.1 21.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -91.13 25.99 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.274 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.72 52.36 39.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.05 133.83 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -115.4 102.04 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.73 130.78 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.17 109.99 1.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.7 120.13 38.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.766 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -144.41 146.81 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.98 109.97 11.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.75 140.83 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.92 138.36 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -114.77 128.41 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -115.29 113.11 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.07 168.61 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -82.46 -31.89 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -153.05 65.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -162.22 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.83 167.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -115.04 146.23 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.96 125.35 14.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.63 167.63 26.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.475 2.117 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -149.5 127.52 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.33 149.51 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.2 136.02 4.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -146.4 147.17 31.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.52 -168.45 32.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -131.81 147.26 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.1 152.04 31.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -109.62 117.32 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.4 m -88.82 122.48 32.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -109.23 126.27 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -107.35 139.36 20.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.09 174.37 10.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.491 2.127 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.38 75.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.74 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -155.66 171.13 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.36 61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.72 -39.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -126.98 121.8 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 142.97 44.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.72 127.33 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.85 171.26 23.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.71 150.43 17.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.64 -162.67 34.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -116.49 147.63 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -132.76 137.5 46.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.18 149.91 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 141.77 11.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.89 124.5 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -112.3 120.26 41.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.19 150.62 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.85 -177.61 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -169.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.16 -179.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -91.98 85.11 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -157.75 -53.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.17 178.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.1 pt -104.34 145.04 29.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -73.94 -168.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.359 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.97 92.39 44.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.49 147.12 70.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.112 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.3 m -152.04 143.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.59 117.35 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mt -137.65 147.63 58.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.3 146.42 50.85 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.53 2.153 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.72 152.97 42.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.2 140.71 52.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -103.64 135.13 45.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.25 116.18 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.83 111.03 4.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.72 115.0 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.56 -150.33 38.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.35 -6.55 19.03 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.634 2.223 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.75 154.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 10.2 m -118.05 144.04 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -127.34 133.84 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.5 mmm -94.1 144.05 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.09 124.1 51.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -105.55 144.97 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.96 99.95 6.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.42 151.94 65.63 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.458 2.106 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.92 146.28 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 10.7 m -104.24 97.93 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -137.45 -71.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -115.59 -61.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -105.41 -51.56 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.4 28.55 73.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -172.0 35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.6 m -86.2 133.36 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -112.98 129.53 56.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.93 162.18 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -142.75 139.77 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -137.43 151.78 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -94.11 140.63 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.04 137.57 39.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -88.4 124.76 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.9 117.07 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mp -112.83 92.18 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.65 134.06 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -165.03 78.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -102.51 177.18 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.56 153.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -159.38 35.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -159.59 119.73 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.89 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.747 0.308 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -166.26 170.37 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -17.23 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.491 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.99 -57.11 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.619 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -25.99 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.771 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -57.87 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.2 -42.37 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -65.05 -49.55 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.83 -31.65 71.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.23 -31.73 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.79 -53.06 23.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 tt -60.47 -44.68 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.24 74.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -52.81 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -31.9 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.25 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -79.64 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.36 149.5 81.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 44.7 Cg_endo -68.54 -47.88 1.29 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.47 33.73 23.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 17.3 m170 -63.18 127.68 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.06 111.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.799 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.05 119.55 33.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.13 142.49 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -120.06 134.59 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.31 152.93 65.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 -171.37 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.239 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.9 175.88 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -133.83 122.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 p -127.42 -44.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -46.84 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.07 128.81 54.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.0 108.38 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -129.55 -45.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.93 152.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 128.99 38.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -124.76 104.9 8.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.21 157.19 33.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.21 -46.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -123.11 162.16 23.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 113.54 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.81 -57.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.71 -37.28 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.69 157.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -96.91 141.86 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -67.29 123.15 19.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -91.11 119.2 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -161.95 95.11 1.28 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.64 175.57 6.02 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.484 2.123 . . . . 0.0 112.237 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -114.02 40.68 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.89 178.63 16.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.23 147.67 5.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -114.7 145.15 18.58 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -152.0 152.79 32.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.42 -163.52 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.55 173.51 11.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.2 p -133.46 145.64 50.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -108.74 145.85 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -100.82 108.18 19.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.1 122.33 30.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.59 -15.52 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.486 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.06 2.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.02 46.47 44.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.56 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.08 144.25 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.05 92.01 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.95 143.37 55.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.06 110.0 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -124.05 123.07 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -155.49 151.54 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 159.61 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.0 ttm -133.97 163.55 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.78 138.02 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.97 106.98 17.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.89 130.24 34.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.545 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 12.7 p-10 -117.72 -177.46 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -12.3 30.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.372 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 15.93 12.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.361 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 55.29 81.52 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.767 0.318 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.545 ' N ' ' HD2' ' A' ' 77' ' ' ASP . 15.4 tttt -177.07 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.404 ' O ' ' CD1' ' A' ' 82' ' ' TRP . 39.3 p90 -77.93 126.15 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 124.87 61.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.7 143.66 10.82 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.653 2.235 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.2 tp -156.03 124.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.66 158.05 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.73 135.99 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -146.86 136.48 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.61 179.38 33.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -106.05 141.92 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -132.93 141.64 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -126.57 120.47 29.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.9 p -80.69 128.21 33.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -125.6 154.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -106.43 101.91 38.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.5 133.96 25.35 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.455 2.103 . . . . 0.0 112.25 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.59 81.16 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.27 -65.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.02 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.4 -45.55 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -136.23 62.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.07 102.49 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 128.36 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 tt -136.02 124.21 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.45 163.59 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.5 161.89 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.22 177.85 46.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -125.81 127.57 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.8 m -99.73 131.72 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.75 115.3 30.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.3 122.77 7.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 135.15 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.0 p -105.82 147.71 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.03 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 142.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.29 31.78 0.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -139.14 33.73 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 60.54 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 59.97 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.91 141.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 tp -79.56 135.86 56.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -51.19 159.87 2.5 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 90.53 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 154.89 66.82 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.478 2.118 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.06 159.06 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 mp -142.35 115.01 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 mt -135.8 142.64 41.38 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.59 138.22 23.81 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.46 2.107 . . . . 0.0 112.391 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.7 mp -132.54 173.9 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.56 167.93 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.86 121.51 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.23 122.95 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.76 -168.22 40.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -141.43 145.99 35.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.58 -144.06 41.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.401 ' HB2' ' CE1' ' A' ' 160' ' ' PHE . 43.7 Cg_endo -68.16 -19.84 44.36 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.518 2.146 . . . . 0.0 112.393 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.96 111.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 131.76 31.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.4 129.89 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.07 116.18 31.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mmt -92.68 133.52 35.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 75.4 p -126.9 140.59 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -109.99 113.67 26.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.58 99.9 7.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.58 148.0 58.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.522 2.148 . . . . 0.0 112.316 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -60.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.4 m -116.1 151.28 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -99.23 31.14 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -137.4 29.81 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.31 -43.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.07 37.07 2.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 26.3 m120 60.65 106.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.77 99.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.62 133.4 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.18 164.01 12.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.55 155.07 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -133.31 148.77 51.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 16.8 mtm -89.16 138.24 31.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -122.8 130.46 52.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 136' ' ' PRO . 0.6 OUTLIER -133.6 135.84 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -86.3 139.63 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -133.79 175.23 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.17 92.66 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -138.41 145.43 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -108.98 105.25 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -145.08 101.66 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -144.38 -170.87 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -95.11 157.17 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -102.91 115.22 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.937 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ttm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -133.06 28.03 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.04 -20.49 57.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.393 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.15 -57.14 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.649 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.18 -25.9 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -76.78 -31.0 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mmm -77.4 -41.63 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -61.11 -29.77 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -42.06 85.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -38.94 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.68 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mm -73.61 -31.03 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.77 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -69.93 -45.05 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -59.82 -31.85 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.405 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -83.85 -61.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.64 -75.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 143.19 94.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.88 150.81 39.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.61 2.207 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -167.99 33.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -121.76 144.08 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -115.84 103.14 10.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 152.91 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.15 119.16 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -93.69 112.97 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 155.73 80.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 159.77 50.25 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 112.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 152.25 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.58 120.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -129.42 -177.93 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -122.48 -43.59 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.01 -50.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -113.54 78.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.99 179.55 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -64.74 118.39 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -120.5 147.41 45.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -72.33 -177.47 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.01 79.67 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -161.49 164.47 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 160.92 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -92.87 131.71 37.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.0 149.18 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -106.1 79.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.44 142.5 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -121.55 122.64 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.0 mtt85 -128.85 147.77 65.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.08 139.71 33.16 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -158.53 120.9 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.8 -84.65 1.34 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.5 164.26 17.1 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 151.27 16.94 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -151.98 131.13 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.4 -151.04 6.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.55 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mp -141.59 176.15 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.6 m -135.45 160.61 37.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -136.22 162.15 33.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -115.58 133.7 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.77 126.48 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.31 -19.39 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -91.62 26.11 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.314 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.23 49.92 49.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.543 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.05 154.41 49.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -122.39 115.39 22.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -96.09 126.09 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.32 111.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 pp -129.25 130.05 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -153.91 151.02 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.21 124.79 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.8 mtm -92.37 171.78 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.68 138.02 19.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.12 152.39 41.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG2' ' CD1' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -105.54 110.09 22.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.99 161.85 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -93.0 -16.77 24.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 2.3 p-90 -152.86 30.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -153.44 -166.99 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -91.7 163.15 14.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.419 ' CD1' ' HG2' ' A' ' 76' ' ' LYS . 10.8 m0 -60.2 142.27 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.84 124.94 29.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.71 157.34 35.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.494 2.13 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.0 mp -142.91 142.99 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 146.38 40.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.76 137.86 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -144.68 130.03 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.2 151.97 24.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.66 119.97 25.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -138.94 152.92 48.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -109.08 127.15 53.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.6 p -99.3 150.02 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.65 154.58 51.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 101.9 14.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.18 -169.76 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.482 2.122 . . . . 0.0 112.213 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mp -99.71 -33.79 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.5 69.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.23 147.33 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -112.38 -28.3 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.76 31.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -127.08 120.9 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -104.94 151.45 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.56 125.32 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.37 163.37 31.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.71 160.24 39.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -165.72 35.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.49 129.29 54.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -109.33 113.42 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.64 159.59 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.21 129.61 2.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p -116.09 140.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.3 p -120.02 159.46 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -114.63 142.01 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -154.93 136.23 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.85 41.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -104.15 109.46 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 67.28 -72.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.54 177.07 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.37 30.92 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 121' ' ' ILE . 27.2 mm -109.53 127.15 27.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 161.79 4.74 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.371 2.047 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -110.42 86.11 5.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 156.8 60.36 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.9 t -152.24 146.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tt -134.26 126.86 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 tp -147.85 138.86 13.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.62 137.62 50.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.528 2.152 . . . . 0.0 112.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.2 tt -143.78 152.8 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.73 138.97 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.6 p -106.68 140.82 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.82 124.93 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -93.95 116.1 5.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -123.37 114.88 20.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.58 -150.4 38.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.52 -5.39 16.83 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.629 2.219 . . . . 0.0 112.681 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.32 155.09 13.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 111.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.21 147.99 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -122.72 146.01 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.7 125.89 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 mtt -122.57 123.37 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 138.68 31.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -104.16 146.27 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.3 mt -136.01 135.78 21.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 128.27 15.61 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.465 2.11 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.23 -138.37 10.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m -119.51 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -172.09 136.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.26 -78.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.79 174.55 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.92 28.69 7.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -110.04 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.36 144.42 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -127.23 138.11 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.07 149.48 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.22 157.05 43.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -166.31 142.76 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.43 146.22 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -123.44 122.44 38.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.6 142.15 36.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -116.52 122.05 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -130.32 166.63 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt -144.8 130.35 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -139.96 110.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 131.39 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -78.77 -29.57 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.4 t60 62.86 -176.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 60.33 80.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -60.24 128.5 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.876 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.824 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.57 -55.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.41 -20.21 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -25.91 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -67.28 -39.36 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.1 mmm -60.25 -31.55 70.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -31.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -69.99 -31.28 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.95 -55.9 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.06 -31.04 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -71.07 -30.92 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -73.24 -39.32 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm -70.89 -42.8 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.37 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -38.6 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.15 -32.32 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -72.56 -31.73 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -85.72 -38.91 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.71 139.85 35.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -168.18 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.446 2.097 . . . . 0.0 112.286 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.21 -64.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -113.03 178.69 4.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.07 165.11 13.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.01 123.56 32.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.69 124.69 42.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -107.2 127.43 53.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 28' ' ' ILE . 10.5 tt -143.37 134.95 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 161.01 47.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.46 2.107 . . . . 0.0 112.281 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.85 104.93 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 pt -158.57 146.63 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 t -114.46 -48.88 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -177.2 -69.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -178.51 138.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.04 -169.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.77 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -95.41 175.61 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.69 111.2 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -125.75 120.83 31.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.4 148.57 23.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.38 88.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.65 172.56 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -152.85 150.94 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -101.87 144.18 30.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.41 -50.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.42 -178.48 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -132.06 88.66 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.36 123.06 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -97.75 112.99 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -81.32 148.46 63.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.96 171.84 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.6 2.2 . . . . 0.0 112.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -163.17 31.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.28 -96.54 2.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.13 165.49 12.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.35 159.08 23.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -151.45 152.81 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.77 -164.86 37.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -131.96 173.7 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 168.3 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.77 177.96 9.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -140.05 106.99 5.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.66 142.92 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -59.81 -17.2 34.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.569 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -89.76 26.13 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.583 0.23 . . . . 0.0 111.294 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.79 52.7 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.587 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -132.0 157.08 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -132.1 109.95 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -124.64 137.18 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.85 141.17 8.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -105.32 130.81 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.0 145.16 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.2 110.77 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.92 163.42 15.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.43 138.2 29.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -102.97 156.19 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 119.93 39.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.12 -177.41 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -78.38 -34.66 48.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -109.09 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -175.59 78.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.66 77.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -60.67 105.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.58 124.96 91.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.1 137.38 19.28 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.165 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.3 mm -141.38 134.69 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.81 151.46 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.38 8.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 70' ' ' LEU . 1.7 t80 -105.48 149.25 26.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.67 147.2 18.72 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -139.09 125.39 20.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -133.9 153.05 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.35 135.16 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 140.75 48.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.95 141.2 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.1 136.92 28.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.78 -73.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.55 2.167 . . . . 0.0 112.261 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -173.9 36.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.82 30.8 20.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.54 -34.23 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -103.28 -22.85 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 66.07 30.9 9.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.03 126.85 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.78 129.13 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 tt -123.04 119.94 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.86 162.41 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -145.33 126.09 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -165.3 -160.22 12.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 4.0 m-85 -134.9 151.43 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.5 t -118.27 117.94 30.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.18 120.51 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.23 -169.53 16.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.06 137.85 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 t -135.68 156.62 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.16 140.16 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -85.95 166.21 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -59.79 112.99 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.6 m95 60.57 -176.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -173.35 105.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 120' ' ' TYR . 2.5 p90 -153.74 -46.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 120' ' ' TYR . 2.6 pt -97.92 143.15 25.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.17 153.17 40.81 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 tp -116.69 88.59 25.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.83 136.12 34.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.582 2.188 . . . . 0.0 112.313 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.49 125.16 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.04 117.44 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 mt -144.28 140.09 16.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.05 157.94 42.28 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.487 2.125 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -157.71 177.55 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.41 129.38 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.0 p -99.67 118.73 36.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.5 m -128.07 118.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.52 -160.38 33.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -146.0 144.48 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.59 -143.7 41.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.0 -20.36 44.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.555 2.17 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 t -90.6 110.94 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 25.2 m -137.81 128.95 27.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.13 126.85 35.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.64 134.17 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.27 118.24 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.17 123.57 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -114.9 133.45 55.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 15.3 tt -106.32 136.03 19.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 169.98 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.453 2.102 . . . . 0.0 112.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.49 -152.92 7.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.13 -45.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 153.05 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.29 -33.76 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -80.57 140.5 35.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.01 5.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.72 132.9 37.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.39 107.8 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -100.77 134.75 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.96 142.46 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -108.14 145.42 34.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -148.26 126.45 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.39 126.96 41.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -117.62 123.17 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -125.34 131.36 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.17 134.17 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.64 133.42 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.44 147.71 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.9 88.51 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -129.71 -176.75 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -152.14 -52.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -146.38 87.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.86 147.49 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 6.3 m80 60.63 167.82 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.902 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.867 0.365 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.8 30.18 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.48 -16.82 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.521 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.19 -49.48 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -25.83 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.567 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.66 90.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.31 -31.02 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -68.37 -31.28 70.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.44 -37.49 87.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -73.42 -32.02 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -32.77 47.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -74.18 -40.21 62.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.3 tt -68.5 -44.29 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.54 98.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -53.27 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -60.58 -31.4 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -31.45 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -63.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 60.98 163.2 0.1 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.61 124.41 11.94 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.574 2.183 . . . . 0.0 112.236 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.06 -31.81 44.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -116.14 128.15 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -111.04 115.14 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -103.9 162.21 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mp -147.41 114.77 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.36 130.15 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.1 pt -134.21 133.09 21.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.34 -174.26 2.13 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.534 2.156 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.96 -170.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 tt -114.11 130.2 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 p -77.29 -70.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 62.86 120.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -66.36 -50.35 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 61.06 -176.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.31 -47.31 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -167.19 -66.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.61 114.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -79.77 161.54 25.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -93.83 139.79 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -111.79 121.59 45.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -87.02 82.94 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -137.42 96.82 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -142.5 -65.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -152.75 37.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -138.28 134.4 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -69.04 136.71 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -109.24 134.0 52.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.39 162.26 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 72.09 26.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 99.03 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.602 2.201 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -92.91 157.44 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.7 92.52 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.68 171.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.15 33.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -115.45 173.95 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.33 156.98 24.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.71 177.98 8.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.807 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.3 p -172.26 154.05 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -131.44 179.12 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.67 132.62 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.25 122.64 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -18.67 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 26.15 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.289 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.58 42.51 95.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -132.11 157.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -111.91 100.47 8.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 142.47 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.35 141.42 12.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 tt -154.02 114.05 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.77 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -136.5 162.69 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.24 129.99 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.1 mtt -128.18 177.06 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.06 138.01 29.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -106.12 141.29 37.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -84.94 145.38 27.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.86 -173.74 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -31.92 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 -69.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -166.84 92.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -169.24 124.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -114.94 131.24 56.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -120.77 124.99 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.98 159.69 41.12 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.398 2.066 . . . . 0.0 112.392 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.9 pt -144.32 135.14 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.77 146.76 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.94 135.98 5.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -145.41 140.68 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.4 22.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -129.89 144.1 51.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.57 148.07 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -99.79 140.78 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.95 147.97 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.39 117.32 6.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -125.11 148.85 61.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -29.19 21.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.567 2.178 . . . . 0.0 112.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tp -162.15 36.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.63 70.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.93 162.93 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -109.02 -28.8 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -58.98 -61.92 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -114.54 132.73 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -144.03 162.14 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.4 pp -152.1 144.78 24.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -159.87 -178.54 33.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.03 157.09 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.7 -164.45 35.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.93 157.85 19.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.0 m -138.94 132.1 29.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.02 113.97 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -97.62 129.97 10.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.567 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.5 m -115.97 126.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 42.5 p -130.7 128.46 40.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -106.69 135.37 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -112.22 95.29 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.62 92.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.21 -51.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -130.77 -61.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -127.38 -178.38 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -100.48 94.86 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.17 92.99 37.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.31 154.06 15.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.529 2.152 . . . . 0.0 112.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.64 89.26 27.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.97 145.02 44.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.57 2.18 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 28.8 m -147.09 120.98 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.13 123.27 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 mp -146.23 140.96 15.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.39 149.52 13.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.619 2.213 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -158.52 179.23 9.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.69 175.34 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -160.04 118.03 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 9.3 p -143.99 133.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.81 -166.08 35.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -145.9 147.07 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.93 -150.95 35.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.13 -7.49 21.09 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.581 2.187 . . . . 0.0 112.603 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.01 116.43 50.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.5 t -138.01 147.27 44.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.41 ' CZ ' ' HE1' ' A' ' 158' ' ' MET . 20.2 m-85 -108.91 143.42 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -122.67 125.21 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 80.7 mmm -106.44 156.18 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 t -141.01 120.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -100.25 155.86 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.4 tp -99.28 134.08 21.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.03 135.32 29.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.272 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.84 128.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.6 t -143.65 79.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 148' ' ' TYR . 43.8 p90 -69.54 123.01 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.6 m120 68.24 -68.29 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -171.42 -175.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.26 28.42 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.543 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.63 103.94 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.2 m -94.9 130.66 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.88 136.27 48.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.72 161.0 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -136.58 138.11 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -129.38 151.77 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' MET . . . . . 0.41 ' HE1' ' CZ ' ' A' ' 139' ' ' PHE . 7.4 mmt -93.28 135.53 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.81 141.26 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.36 134.46 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.33 119.79 40.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.01 178.58 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mt -131.21 150.0 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.21 98.71 8.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 145.11 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -168.81 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -94.96 158.31 15.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -84.97 -34.56 22.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -75.72 159.11 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -148.88 96.15 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.04 48.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -57.03 4.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.995 0.426 . . . . 0.0 110.579 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -25.84 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -45.47 57.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mmm -61.69 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.3 p -59.82 -38.57 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -77.99 -31.4 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -35.47 80.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -59.63 -32.71 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -31.28 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -76.64 -44.94 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.8 mm -67.59 -39.05 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.3 -49.32 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.5 p -72.94 -31.44 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -60.94 -32.08 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -92.1 -59.52 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.95 148.37 86.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 174.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.543 2.162 . . . . 0.0 112.256 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CD ' ' HE2' ' A' ' 164' ' ' GLU . 0.6 OUTLIER -165.21 32.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.31 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.41 106.59 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.493 ' HD2' HH11 ' A' ' 159' ' ' ARG . 1.2 t70 -103.98 139.73 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -138.97 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.29 125.83 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.3 pt -158.61 147.77 14.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.47 -173.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.44 70.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.4 mm -134.12 158.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.8 p -130.13 171.71 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -145.03 169.74 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 72.6 m80 60.43 79.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.8 161.76 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtm-85 -78.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 155.93 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.02 107.17 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.77 167.26 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.24 157.34 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt 60.59 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.33 130.49 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -121.36 -46.28 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 p -72.39 -30.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 64.38 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.01 146.44 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.48 131.73 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -116.14 159.36 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.51 150.93 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -98.2 151.89 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.32 166.87 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -101.01 149.86 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.56 -141.98 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.21 -177.89 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.49 153.05 21.12 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.55 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -145.65 142.06 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.14 -163.52 24.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -127.33 177.95 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -155.95 169.13 25.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -132.51 154.04 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -136.13 132.12 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.19 141.4 50.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.35 -18.5 28.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.433 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -89.9 25.99 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.79 47.49 75.27 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.545 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.22 96.91 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -103.63 92.94 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.86 143.09 54.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.92 119.41 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.559 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 mt -144.68 114.1 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -151.8 164.88 36.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.93 120.08 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.07 168.63 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.09 137.93 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.85 135.17 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 145.63 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.27 -176.01 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 p -83.55 -28.03 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -138.63 -46.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.782 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -108.11 178.21 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -60.17 107.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.83 124.9 85.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.08 142.52 13.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.554 2.17 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.92 117.03 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.62 148.24 25.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.184 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.97 3.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -156.83 152.5 26.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.42 -173.48 39.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 92' ' ' SER . 12.4 t90 -98.16 144.1 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -136.11 135.57 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.404 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 87.6 p -134.23 130.89 37.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -119.82 147.65 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -122.3 159.02 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 150.2 43.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.16 -44.78 1.06 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.612 2.208 . . . . 0.0 112.238 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -176.71 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.06 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.33 28.74 13.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.72 75.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -175.22 -77.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -99.02 138.07 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -114.17 116.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.37 122.11 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.7 -172.91 38.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mt -132.8 170.99 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.05 146.88 8.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.7 142.29 27.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.46 132.44 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.95 114.04 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -97.5 134.62 11.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.0 m -128.23 126.79 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.7 p -109.11 116.78 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -107.13 142.64 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -121.56 -176.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -142.21 33.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -69.58 -64.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -126.54 -51.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -135.77 155.52 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.22 101.91 5.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.3 mt -131.66 92.91 29.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.36 143.52 53.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.455 2.103 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.35 88.05 3.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.87 153.36 63.89 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.0 m -154.01 130.46 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 mt -99.59 125.63 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.7 mp -147.99 144.08 18.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.01 149.23 41.38 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.4 tt -152.92 149.99 28.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.59 165.68 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -140.77 118.59 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.82 122.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.23 -163.94 33.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.611 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.8 139.7 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.84 -141.0 45.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.69 -23.22 42.65 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.493 2.129 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.54 110.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.3 m -130.75 112.88 13.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 156' ' ' ALA . 7.4 t80 -85.13 122.49 29.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -110.78 158.23 18.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 25.7 mtt -129.63 122.53 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.9 m -101.03 129.94 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.09 133.2 51.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 tp -93.43 133.62 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.91 153.28 58.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.425 2.083 . . . . 0.0 112.221 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.58 98.95 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.78 86.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 -67.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -108.93 144.45 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.3 -172.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.02 30.45 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -110.34 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.59 142.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.79 134.44 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -105.71 133.12 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 139' ' ' PHE . . . -102.53 158.89 15.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -154.8 158.22 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 3.6 ttt -111.64 132.67 54.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.493 HH11 ' HD2' ' A' ' 25' ' ' ASP . 15.0 ttp85 -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -110.46 137.74 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.59 121.6 36.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -111.38 153.26 26.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.9 mt -131.1 140.33 49.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.41 ' HE2' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -80.03 120.57 24.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -160.06 37.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -176.7 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.29 100.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.4 -174.11 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -154.44 31.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.852 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -131.4 164.22 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.91 42.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.13 -57.05 4.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.87 -25.84 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -64.36 -42.71 96.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -63.3 -46.39 86.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.3 p -60.41 -48.8 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -60.53 -40.95 93.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.24 -33.22 69.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -35.22 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.25 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -76.49 -53.45 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 tt -59.95 -35.2 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.005 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.82 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.62 -37.12 76.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -74.05 -37.96 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -60.47 -53.96 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.55 -67.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 59.94 87.17 0.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 150.51 67.17 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.177 . . . . 0.0 112.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -139.12 -72.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -130.53 142.63 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.69 113.18 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -103.73 129.06 51.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -107.25 124.21 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' CD2' ' CE ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -100.06 113.28 25.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.1 mt -138.23 135.63 18.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.59 179.73 4.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.395 2.063 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.03 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.76 146.19 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.2 p -149.2 31.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -109.03 -40.81 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 87.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 60.65 78.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -152.38 90.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.49 149.71 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -130.5 124.91 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.01 123.97 18.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.93 132.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.9 78.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 -27.11 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p -55.37 -27.78 49.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t0 62.26 -170.84 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -109.53 -66.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.79 162.9 13.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -109.66 166.09 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.24 147.83 25.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -138.71 83.89 19.01 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.57 -63.49 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.578 2.186 . . . . 0.0 112.217 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -157.93 30.49 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.15 -131.13 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.15 -175.84 45.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.584 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.7 -176.0 37.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 26' ' ' LEU . 22.1 m-85 -151.26 173.75 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.74 44.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.2 155.94 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.2 m -128.59 144.76 51.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.24 155.93 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -112.69 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.95 -22.86 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.399 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -70.82 -24.97 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.77 41.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -132.01 156.07 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.13 96.89 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -68.12 134.48 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.52 111.66 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.422 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -130.11 121.04 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 27' ' ' TYR . 2.4 p90 -156.42 159.62 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.22 127.01 51.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.43 ' CE ' ' CD2' ' A' ' 27' ' ' TYR . 1.9 ttm -118.95 144.68 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.3 138.04 53.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -103.84 141.46 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 119.32 24.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 -23.59 27.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.261 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -147.81 -51.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -65.31 -176.4 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.802 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -72.34 176.87 4.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -86.82 145.51 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.1 tt0 -101.66 125.24 37.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' GLU . 17.3 Cg_exo -66.71 160.69 45.17 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.414 2.076 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 HD13 HG21 ' A' ' 85' ' ' ILE . 31.1 mt -147.03 151.93 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.8 147.32 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.18 137.65 6.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.9 p90 -152.47 134.77 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -173.39 33.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -135.99 148.6 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -142.56 152.96 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.9 m -85.6 141.08 30.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -117.63 143.53 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.405 ' HB3' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ppt_? -128.85 101.91 19.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.29 178.21 3.87 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.433 2.089 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 mp -91.62 89.34 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.11 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -127.2 165.94 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.87 -32.39 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -55.45 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.78 129.39 39.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 95' ' ' ARG . 8.7 m-70 -143.91 149.2 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 mp -140.35 121.32 14.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.47 160.12 25.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -141.5 153.34 44.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.91 -159.98 22.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -122.05 150.92 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.93 139.42 48.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -123.31 152.12 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.62 160.08 27.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.6 m -148.0 117.05 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.44 113.5 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.59 159.07 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -177.97 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -118.12 -44.39 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -129.89 30.43 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m0 59.34 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -144.79 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -118.72 146.96 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.97 156.61 90.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.07 140.07 80.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.642 2.228 . . . . 0.0 112.121 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 tp -105.77 89.04 3.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 156.14 58.94 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.528 2.152 . . . . 0.0 112.252 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.74 144.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.2 mt -143.22 114.98 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.8 155.36 44.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.95 147.0 54.3 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.5 tt -143.08 147.8 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.15 143.19 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.6 p -127.4 114.03 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.5 m -139.82 131.29 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 157.67 -154.45 25.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.572 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -79.61 147.23 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -47.85 -61.2 4.95 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.967 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 27.3 Cg_endo -62.47 -30.04 79.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.541 2.161 . . . . 0.0 112.311 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.95 110.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.4 p -116.67 147.97 41.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CZ ' ' HE1' ' A' ' 158' ' ' MET . 1.6 m-85 -89.89 133.65 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.731 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 130.67 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.4 mmm -125.91 118.21 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -99.63 131.22 45.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 144' ' ' ILE . 53.5 t80 -132.88 159.05 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 143' ' ' TYR . 0.2 OUTLIER -139.37 147.09 51.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 170.1 19.33 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -148.69 -164.88 11.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.589 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.8 -33.74 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.5 -55.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.73 114.73 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.94 -35.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.38 24.57 53.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 t30 57.42 39.07 28.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 p -73.02 112.15 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -138.02 142.98 40.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.27 145.96 40.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.64 161.31 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.07 169.65 17.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' MET . . . . . 0.421 ' HE1' ' CZ ' ' A' ' 139' ' ' PHE . 13.1 mtt -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -133.93 124.91 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -103.37 147.08 27.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -123.17 134.39 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.13 133.8 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.78 152.24 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -127.03 113.15 16.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.78 -169.87 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 32.7 m170 61.03 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t60 63.91 132.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -166.09 33.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.883 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.892 0.377 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.04 106.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.83 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -77.04 -57.04 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.94 -25.94 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.89 -39.62 72.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mmt -77.88 -33.8 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.1 p -59.98 -30.13 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -58.73 -31.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -67.61 -50.11 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -32.68 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.07 -32.57 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -72.08 -39.77 68.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -74.2 -40.71 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.09 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -50.85 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -60.55 -35.45 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -53.82 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -35.9 76.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.04 149.22 94.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 179.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.562 2.175 . . . . 0.0 112.295 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -103.87 -31.88 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.45 150.07 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -128.88 137.86 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -120.62 165.5 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -139.67 132.35 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' CG ' ' HE1' ' A' ' 73' ' ' MET . 1.2 t80 -112.47 113.16 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mt -126.44 135.93 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.31 143.25 47.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.447 2.098 . . . . 0.0 112.263 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.74 -64.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt -132.5 148.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 m -120.27 -66.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -85.43 -176.18 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -64.55 89.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.03 165.98 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -162.14 123.4 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.54 82.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 90.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.85 167.98 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.46 105.39 3.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -24.61 61.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.79 -67.05 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 74.05 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -129.12 117.1 20.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.96 -37.36 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.89 151.33 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.32 153.78 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -110.96 111.42 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.2 158.88 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.87 155.36 36.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.73 148.45 65.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.63 86.32 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.16 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.9 -174.74 46.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.592 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -146.23 6.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -125.05 173.96 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 71' ' ' TYR . . . -145.14 142.6 10.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.93 178.06 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -170.11 168.06 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -131.92 169.5 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -105.76 153.53 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HD2' ' HZ3' ' A' ' 64' ' ' LYS . 1.2 t0 -142.48 123.18 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.74 -20.12 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.519 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HZ3' ' HD2' ' A' ' 62' ' ' ASP . 9.2 pttt -89.8 26.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 111.442 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.35 43.4 96.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.448 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -132.1 157.05 45.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -143.76 125.31 14.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.92 141.9 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.09 116.53 3.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.599 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.2 141.02 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' CE1' ' HA3' ' A' ' 57' ' ' GLY . 11.5 m-85 -145.31 151.62 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.3 109.99 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.416 ' HE1' ' CG ' ' A' ' 27' ' ' TYR . 1.8 mtt -120.16 178.08 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.3 138.0 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -131.76 153.78 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.95 139.17 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.03 -169.6 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -28.65 65.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -97.92 28.82 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 56.04 30.53 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.33 111.83 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -69.24 116.42 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -102.4 124.95 37.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.83 162.58 37.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 HG21 HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.2 119.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.73 134.86 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.22 136.04 8.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.95 152.97 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.53 -162.81 31.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.47 149.26 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -137.47 138.2 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -135.6 105.23 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.4 p -92.09 140.17 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -134.3 128.24 33.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -137.12 142.86 39.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.1 -174.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.459 2.106 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.63 51.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.36 33.11 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.42 -52.8 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.55 -30.58 12.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 62.61 37.97 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.82 130.08 46.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.03 121.73 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.2 tt -150.43 120.04 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.13 177.07 31.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 137.93 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.08 151.74 22.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -101.73 140.93 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.04 121.53 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.42 114.07 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.85 15.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.06 123.54 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 m -116.13 138.11 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -146.84 127.62 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -117.71 137.69 52.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.27 161.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -106.51 -28.68 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.995 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -49.39 76.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -79.1 -54.52 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 14.0 t80 59.52 84.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 121' ' ' ILE . 24.5 mm -128.67 92.8 39.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.39 148.68 70.18 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.49 2.127 . . . . 0.0 112.245 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.07 75.97 78.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.42 134.71 12.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.1 m -154.01 128.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.194 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.35 125.71 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.2 99.82 21.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.08 134.34 19.36 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.525 2.15 . . . . 0.0 112.344 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pp -141.9 161.77 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.72 127.8 42.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 117.71 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 13.3 m -143.97 125.88 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.63 -162.36 31.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -146.02 146.13 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.08 -149.93 29.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.62 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.58 -11.13 29.29 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.625 2.217 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.69 121.34 52.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 148.02 44.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -129.54 130.74 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.99 143.26 33.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.2 mtp -111.9 121.44 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 14.7 p -99.72 143.2 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -116.57 121.26 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.8 pt -140.87 99.9 6.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 163.83 37.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.25 -159.13 8.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.8 m -91.64 79.74 5.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.84 177.03 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.63 -50.17 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -90.1 -68.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.86 36.72 65.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.14 35.89 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -78.06 131.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -129.07 137.08 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -113.09 148.72 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.5 148.89 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -130.91 161.31 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.37 128.97 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -130.81 119.45 22.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 120.86 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.11 121.6 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -133.51 155.25 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.66 159.53 17.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.25 85.28 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.67 -31.77 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 61.54 177.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 138.7 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -105.3 72.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -131.44 31.69 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 tpp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -70.41 -34.96 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.27 -24.31 11.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.38 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -57.05 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.642 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.52 -25.89 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.722 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -77.64 -30.82 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -46.27 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.3 p -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -60.1 -44.66 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -44.22 77.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.6 -54.57 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.4 tt -59.83 -34.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.03 -55.07 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.51 -31.55 70.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -73.37 -48.11 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -44.17 97.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -58.25 8.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -138.49 122.79 11.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 -39.6 3.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.427 2.084 . . . . 0.0 112.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.91 136.88 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -103.8 140.18 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 52.9 m-85 -75.12 111.44 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.08 144.66 30.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.81 141.02 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -127.84 115.38 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.06 158.41 67.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.88 159.57 3.62 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.59 2.193 . . . . 0.0 112.28 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 -175.96 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 pt -97.92 142.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 t -74.35 -46.24 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -145.83 -74.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -153.43 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.96 87.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -128.84 -71.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -110.21 32.41 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.65 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.14 145.85 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -97.8 159.33 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -98.08 144.33 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -140.51 115.34 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -155.63 -46.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -150.56 -46.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.34 101.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -136.77 89.06 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 148.86 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -77.12 150.57 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.94 105.98 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -131.89 139.06 33.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.25 175.6 10.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.454 2.103 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.93 30.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.72 -157.3 42.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.37 -175.6 45.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.38 136.35 13.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -152.05 136.93 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.19 -156.09 9.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.26 178.01 7.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 p -141.07 168.2 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -151.87 160.61 43.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -104.66 139.03 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.45 123.7 49.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.69 -18.78 45.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -92.78 26.11 2.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.258 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.98 48.49 47.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.04 156.22 46.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.84 98.82 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -71.79 132.91 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.55 109.99 0.73 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.67 124.32 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.738 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.415 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.1 p90 -119.08 123.41 44.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 110.03 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.5 mtt -105.0 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.7 150.17 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.73 127.86 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD2' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -90.6 96.93 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -69.94 151.81 45.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 p -59.44 -21.47 60.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -68.47 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.75 -76.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -82.26 154.22 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.414 ' CE3' ' HD2' ' A' ' 76' ' ' LYS . 37.8 p90 -93.19 156.53 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.761 ' HE2' ' HE ' ' A' ' 115' ' ' ARG . 24.3 mt-10 -106.12 124.85 34.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 170.6 12.99 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.603 2.202 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.6 tt -156.0 118.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.01 144.89 25.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -140.74 136.02 7.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.61 113.95 11.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.18 166.86 24.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -135.39 128.69 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -138.74 153.01 48.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -106.79 126.62 52.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 p -110.7 140.58 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -124.27 135.29 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 155.15 45.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 162.37 42.25 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.482 2.122 . . . . 0.0 112.284 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.71 71.99 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.05 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.66 149.13 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -97.93 37.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -96.0 -57.87 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.69 132.27 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -136.64 137.68 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 tt -145.05 119.87 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.02 170.39 33.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.58 163.07 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.75 37.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -115.8 142.97 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.407 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 31.1 p -117.04 110.98 18.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.23 119.83 36.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -126.42 178.75 16.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.51 147.9 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -119.88 128.61 53.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -139.95 131.66 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.761 ' HE ' ' HE2' ' A' ' 83' ' ' GLU . 24.1 mmt85 -67.87 170.19 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -105.14 -31.92 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -164.77 118.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 -72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.59 92.97 43.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.62 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.595 2.197 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.6 tp -128.01 88.75 52.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.42 153.24 70.74 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.588 2.192 . . . . 0.0 112.286 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.2 122.72 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.34 125.93 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.6 mt -148.03 149.09 31.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.46 141.22 41.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.587 2.191 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.9 149.02 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.8 -179.59 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -164.32 120.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.84 134.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.02 34.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 134' ' ' TYR . 2.7 p90 -145.9 146.54 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.24 -146.08 37.2 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 -17.43 43.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.517 2.145 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.26 111.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 m -138.0 123.9 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -91.93 121.44 33.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -105.34 140.58 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.9 129.29 55.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -113.78 130.02 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.53 122.71 48.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.37 135.76 28.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.17 133.82 18.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.148 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.03 -108.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.9 m -127.62 -45.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -164.91 32.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -161.48 111.91 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -108.94 172.76 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.37 35.73 8.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -160.87 -49.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.97 123.01 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -138.0 138.14 38.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.08 150.19 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -125.75 168.02 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -160.77 139.04 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.91 136.73 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.04 139.15 54.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -140.79 127.81 20.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -104.8 116.37 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -136.54 178.41 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 11.9 mt -119.55 164.16 16.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -108.12 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -60.42 149.89 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -60.15 105.95 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.29 -48.61 67.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.05 -56.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -170.72 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.925 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.886 0.374 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.09 113.26 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.27 -21.38 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.567 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.21 -25.88 66.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -74.23 -30.31 62.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -31.82 63.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -59.83 -52.89 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -60.29 -31.21 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -68.01 -45.79 73.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -45.45 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -35.61 80.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.81 -30.97 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.61 58.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.2 96.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.0 p -60.04 -54.05 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.93 -31.58 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.13 -61.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -120.58 81.7 32.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.78 176.62 7.29 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.8 176.83 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.15 160.82 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -103.04 106.89 17.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -81.09 124.51 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.69 143.11 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 96.9 m-85 -131.97 113.44 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.29 144.77 33.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.2 -168.07 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.483 2.122 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.67 83.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 pt -135.91 146.28 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m 60.32 104.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -144.99 33.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.64 -171.05 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.22 139.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.94 -55.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -107.73 162.14 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.02 130.08 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -98.33 129.88 45.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 127.1 29.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -78.98 156.18 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -112.99 -45.73 3.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 76.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -140.6 109.59 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.63 -71.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -44.8 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.71 108.63 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -108.82 115.76 30.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -103.85 164.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -101.11 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.42 163.57 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.472 2.115 . . . . 0.0 112.249 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -146.43 121.09 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.78 164.1 10.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.08 -157.56 20.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.9 143.44 14.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -152.02 132.26 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.46 -171.04 39.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -131.07 177.95 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 p -132.89 158.86 41.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -125.83 147.48 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 48.1 p-90 -106.97 131.13 54.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.28 115.51 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.08 -22.84 30.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -70.8 -23.27 62.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -132.07 157.04 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.418 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 53.8 t-105 -134.58 97.0 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -67.93 126.03 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.75 109.92 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.32 114.7 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.761 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -130.26 142.97 50.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 109.88 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -94.53 175.58 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.03 138.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 83' ' ' GLU . 3.2 p90 -124.99 140.06 53.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.97 123.57 39.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.42 148.07 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -64.86 -19.78 66.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -151.1 35.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -157.33 -163.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -82.32 -176.49 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -102.36 137.34 40.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.9 mm-40 -95.08 125.0 52.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.29 156.3 16.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.593 2.196 . . . . 0.0 112.42 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 pt -156.12 122.73 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.0 153.99 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.203 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.68 136.03 4.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.409 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.03 -166.2 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.545 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -117.34 131.95 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -130.63 150.91 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -106.6 130.52 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 t -89.45 145.21 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 107.98 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -111.57 120.86 41.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.07 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.25 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.2 -50.11 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.11 88.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -146.47 50.1 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 60.99 31.73 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.2 79.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 0.2 OUTLIER -90.66 141.98 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.06 122.89 48.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.82 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.76 142.6 11.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.3 tp -157.48 125.06 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.62 -162.55 26.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.6 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.88 160.4 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 m -137.53 133.71 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.83 139.46 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.07 -141.16 3.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.8 m -131.82 136.04 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 t -134.17 149.29 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.13 118.94 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -153.23 93.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.52 -178.45 4.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -114.11 104.61 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.23 33.48 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.09 110.5 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 81.96 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.9 tt -136.05 92.89 15.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.82 122.54 10.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.81 140.28 20.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.6 134.59 22.52 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.367 2.044 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.23 137.36 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.4 tt -135.61 120.35 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 pp -145.65 147.65 33.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.34 158.09 52.16 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.56 2.174 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.06 171.83 16.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -170.44 153.3 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.3 t -140.95 123.19 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.77 134.84 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . 168.16 -157.12 29.17 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.81 145.37 36.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 56.87 -147.58 33.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.94 -15.53 40.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.49 111.02 25.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 m -138.14 129.05 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -82.22 120.2 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 117.9 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 12.6 ptm -111.09 125.75 54.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.7 m -117.94 146.03 44.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 153' ' ' VAL . 2.4 t80 -121.75 132.48 54.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -119.07 99.91 50.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.99 167.66 25.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.443 2.095 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 142.41 -85.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.0 165.31 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -60.24 -67.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 60.21 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -108.14 35.4 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.42 36.74 89.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -136.36 44.58 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.421 HG21 ' CZ ' ' A' ' 143' ' ' TYR . 5.4 m -121.03 102.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.03 137.2 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -110.74 122.04 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.97 156.89 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.87 136.95 11.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.76 119.77 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.414 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 39.2 ttt180 -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.44 147.0 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -96.77 133.46 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.23 161.1 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.95 149.74 27.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 87.9 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -124.47 103.82 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -174.02 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.66 137.06 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.63 117.75 10.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -107.35 109.13 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.869 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -161.51 -46.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.68 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.07 -57.08 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.12 -25.94 65.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.715 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -70.05 -49.63 49.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -35.07 74.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -60.13 -31.76 70.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -77.11 -38.0 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.06 -36.74 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.45 97.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.16 -35.13 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.36 -50.29 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.3 tp -66.48 -37.89 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.4 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -73.52 -58.38 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -35.12 74.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -74.13 -30.73 62.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.21 -76.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -66.58 111.8 7.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.33 126.69 22.82 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.424 2.083 . . . . 0.0 112.272 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -74.95 -31.66 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.29 160.95 40.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.85 113.94 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -118.8 150.29 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.56 134.62 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -111.01 119.55 39.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 pt -138.52 154.11 73.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.57 178.47 3.81 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.606 2.204 . . . . 0.0 112.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 100.07 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 pp -157.28 123.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -152.75 36.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -162.94 77.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -35.65 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.2 -27.31 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.48 36.59 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -151.96 76.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.82 116.73 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -98.52 115.22 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.02 155.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -113.98 -55.93 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -176.37 76.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tttm 59.72 31.64 20.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.67 154.51 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.01 -47.41 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 60.34 163.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.52 131.84 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -83.13 126.24 32.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.95 127.61 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.1 89.32 38.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.12 105.39 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.496 2.13 . . . . 0.0 112.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -46.69 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.96 -178.89 43.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.409 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.05 -178.36 37.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -145.94 161.77 28.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -152.02 142.82 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.42 -155.26 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.98 177.17 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -143.41 140.39 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 6.7 ttm-85 -121.55 149.58 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -113.91 140.0 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -110.59 137.9 47.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.73 -20.15 32.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.392 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 26.08 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.696 0.284 . . . . 0.0 111.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.52 56.44 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.616 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -131.95 156.17 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 100.54 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.407 ' CD2' ' HD2' ' A' ' 60' ' ' ARG . 86.5 m-70 -68.46 126.01 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.41 109.97 3.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.9 119.89 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -152.95 158.56 42.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.95 109.89 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.44 168.97 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.3 138.06 13.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -107.97 107.0 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.93 97.03 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -108.61 147.29 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -30.18 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -110.15 36.34 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -156.12 -83.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.09 162.06 0.34 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -115.06 121.33 42.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -142.45 124.99 9.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.73 166.0 15.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.403 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 pt -156.12 140.08 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.0 140.79 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.38 165.34 29.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.638 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -144.27 152.98 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -161.18 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -142.95 150.01 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -107.38 119.4 39.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.4 p -98.59 141.17 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -151.99 144.78 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.51 142.69 25.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.21 -165.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.477 2.118 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -112.31 31.07 6.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.87 -59.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.66 129.55 52.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.76 36.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.412 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 69.5 m-20 -127.42 -46.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -68.2 132.32 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -98.61 135.55 39.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mt -145.29 119.53 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.57 174.56 31.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.0 mt -144.85 156.29 43.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.48 -162.07 27.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.73 147.3 48.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.9 p -126.13 137.97 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 129.99 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.54 140.77 16.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.87 124.43 73.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 m -115.06 134.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.32 145.81 24.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -134.78 135.92 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 60.23 175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -111.29 -37.85 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -71.9 -35.67 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -109.22 100.17 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -85.86 86.27 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.58 105.38 43.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.63 143.33 61.88 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.365 2.043 . . . . 0.0 112.245 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.77 86.07 2.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.1 128.97 13.56 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.592 2.195 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.58 120.99 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.59 140.83 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.7 mt -147.91 135.97 11.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.87 139.56 85.73 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.408 2.072 . . . . 0.0 112.075 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mp -149.93 161.42 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -143.12 147.13 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.0 t -118.0 114.35 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.98 124.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.17 -163.7 27.3 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.572 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 101' ' ' ASN . 9.8 t80 -144.61 141.47 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.36 -142.59 42.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.87 -21.8 43.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.085 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.58 128.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.1 m -132.73 126.29 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 156' ' ' ALA . 3.0 t80 -93.04 124.99 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -108.6 121.09 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 15.1 mtt -107.48 147.73 30.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 62.3 m -130.02 137.74 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -119.01 148.66 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 pt -107.63 141.82 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.51 170.04 21.16 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.502 2.135 . . . . 0.0 112.266 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.15 -177.33 29.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.6 t -90.25 109.76 20.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.11 31.2 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -97.2 83.0 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -139.98 109.22 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.59 28.02 13.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.09 -48.59 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.39 124.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.12 140.89 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.91 135.75 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 139' ' ' PHE . . . -107.33 151.62 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -146.18 152.94 40.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.49 124.24 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -119.44 106.11 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.68 140.0 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.31 118.78 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -127.92 160.71 31.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp -153.64 147.85 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -107.96 114.19 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.69 -31.93 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -97.44 37.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -100.1 36.2 1.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -151.57 123.65 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -82.07 164.7 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.783 0.325 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.54 -56.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.89 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.366 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -77.07 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.76 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.49 -25.93 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.763 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -72.89 -31.81 64.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -48.14 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -59.4 -41.32 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.4 p -61.76 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -41.35 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -75.68 -38.24 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -61.63 -57.0 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.59 -33.82 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -29.44 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -79.06 -30.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -70.78 -32.04 69.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -93.27 -46.49 7.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -31.28 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.01 174.46 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.33 114.8 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.461 2.107 . . . . 0.0 112.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -99.44 -49.11 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 124.93 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -111.07 102.95 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.38 132.37 48.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 144.94 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 127.64 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.71 135.52 21.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.7 174.19 12.17 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.46 2.107 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.73 179.18 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 pt -100.05 140.06 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 t -117.6 151.11 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -110.9 92.47 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.63 113.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.44 -58.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -98.44 29.12 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 58.08 105.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.47 94.95 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -64.95 124.42 22.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.45 154.67 17.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.91 -58.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.43 38.1 19.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -111.06 -64.06 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -94.12 139.14 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 118.98 38.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.63 162.37 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -107.17 100.95 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -84.92 147.88 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -106.48 151.57 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -112.73 88.2 11.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.19 -29.73 26.12 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.518 2.145 . . . . 0.0 112.381 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m0 63.12 127.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.32 -157.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.46 161.86 34.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.96 149.96 18.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.81 134.51 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.11 -162.62 20.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -130.85 177.97 7.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -139.58 164.34 30.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.22 136.05 11.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -108.33 131.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -100.78 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -22.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -92.59 26.08 2.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.82 52.88 34.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.07 102.41 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -88.48 105.59 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.19 126.03 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.29 134.6 7.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.28 113.96 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -127.07 149.81 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.73 110.04 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 ttt -93.19 169.03 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.94 137.95 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -115.35 106.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -90.17 111.32 22.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.97 150.85 33.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -84.65 -17.02 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -52.87 -64.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -128.54 -76.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.57 169.24 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -72.41 151.06 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -115.06 124.93 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.38 147.4 22.81 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.472 2.114 . . . . 0.0 112.376 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 tp -156.07 117.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.43 157.82 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.55 136.11 4.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -156.98 148.98 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.25 -168.93 35.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -107.75 149.89 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -140.94 145.27 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 p -121.56 103.69 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.9 t -77.97 119.06 20.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -113.28 153.82 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.61 137.86 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 -167.87 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.501 2.134 . . . . 0.0 112.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 138.04 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.54 31.15 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -168.9 122.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -106.44 -33.67 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -60.29 -31.19 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -82.67 132.68 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -121.23 138.32 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -150.44 122.98 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.31 -178.52 16.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.15 143.09 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -167.55 -174.93 37.03 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -114.16 146.97 39.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.84 114.45 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.44 121.18 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -108.17 136.91 13.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.566 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.95 136.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.8 155.96 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.75 152.19 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -101.19 -179.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -79.91 -43.53 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.89 111.65 23.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -64.3 94.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -130.75 -48.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -105.8 168.46 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.9 pt -80.69 159.13 69.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.76 165.39 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.574 2.182 . . . . 0.0 112.254 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.01 86.39 53.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.03 156.6 55.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.86 141.33 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.2 mt -93.64 134.68 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.8 99.87 4.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 141.86 42.32 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.556 2.17 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 pp -161.71 171.59 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.34 158.69 25.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -116.44 132.74 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.26 120.36 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.01 111.01 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.58 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.19 114.98 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.65 -150.89 30.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.13 -7.25 20.3 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.671 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.99 155.02 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.7 p -136.28 138.3 41.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.71 145.97 47.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -130.77 116.78 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mtt -104.62 135.94 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.55 146.03 29.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -129.86 134.66 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.34 110.78 28.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 145.46 58.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.388 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -106.25 45.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.413 ' HB ' ' CD1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER 67.68 -69.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.413 ' CD1' ' HB ' ' A' ' 147' ' ' THR . 16.2 m-85 -105.93 29.27 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.63 88.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -175.28 138.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.93 90.66 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.583 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -64.28 167.81 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.87 132.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.17 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.06 150.34 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.81 134.96 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -143.34 140.07 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.4 ttm -96.94 146.61 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 144.92 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.84 122.72 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -100.93 119.34 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.02 152.56 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 tp -131.9 147.42 52.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -88.28 116.19 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.5 121.67 18.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.25 -62.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -176.73 128.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -107.06 123.87 48.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -166.43 32.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.29 82.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.26 -20.47 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.309 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.1 -57.02 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.632 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.09 -25.99 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.681 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.58 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.79 -31.52 72.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -51.11 27.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -63.29 -33.14 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.66 -39.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -63.63 -31.6 72.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.56 -31.46 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -71.2 -52.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -36.37 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.54 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.92 -41.67 70.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -82.74 -30.92 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.67 -31.87 57.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.22 -69.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.61 160.51 1.36 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.86 -178.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.629 2.219 . . . . 0.0 112.295 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -122.18 -52.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -77.94 128.3 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.409 ' CE2' HD23 ' A' ' 58' ' ' LEU . 5.8 m-85 -124.49 156.43 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -121.21 142.89 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.6 mp -131.68 126.41 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 126.32 52.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 tt -158.94 138.82 8.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.41 149.72 22.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.456 2.104 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.36 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 pt -100.63 134.35 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -152.23 -62.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.9 122.27 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.76 113.21 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' CB ' ' HD2' ' A' ' 40' ' ' ASP . . . -147.36 87.98 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -132.22 -46.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -77.13 -54.72 6.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.9 107.49 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -61.01 144.57 53.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' HD2' ' CB ' ' A' ' 35' ' ' ALA . 37.2 m-20 -81.04 129.2 34.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -136.49 152.44 50.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.85 113.86 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.53 -47.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -96.32 170.73 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.12 175.3 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 60.49 158.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.29 157.61 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -97.25 137.18 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -107.46 115.65 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.55 146.95 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.4 -171.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.478 2.119 . . . . 0.0 112.246 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -130.84 127.0 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.33 120.7 3.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.97 147.27 10.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.87 173.47 35.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -152.02 148.95 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.84 -174.29 28.35 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD23 ' CE2' ' A' ' 24' ' ' TYR . 19.4 mt -128.97 163.03 26.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.18 165.94 28.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -145.51 147.08 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -86.84 137.72 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.3 129.29 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.84 -23.58 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.513 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.88 26.08 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.29 51.73 54.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -131.44 157.12 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -126.42 96.89 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 1.1 m-70 -106.38 141.65 37.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.57 160.35 24.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.95 155.88 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.54 142.47 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.66 115.26 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 177.66 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.99 140.76 40.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.25 150.09 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -112.55 140.29 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.41 175.15 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -79.53 -30.16 41.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.13 29.91 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.65 90.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -156.74 76.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.63 117.02 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.53 134.02 25.05 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.64 163.53 31.6 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.511 2.141 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.52 119.27 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.55 125.8 43.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.78 141.71 11.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -155.44 148.3 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.85 -159.29 21.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 41.0 p-90 -138.37 149.83 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -138.48 146.41 42.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.08 100.25 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -90.84 144.32 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -131.36 142.96 50.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 142.58 56.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -82.89 7.35 5.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.723 2.282 . . . . 0.0 112.85 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.89 157.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 62.37 31.05 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -155.71 -58.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 59.87 37.17 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -146.11 -50.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.95 152.98 44.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -131.69 128.08 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.77 131.88 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -172.37 -163.26 25.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.36 170.97 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.49 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.37 144.94 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.7 t -131.68 147.01 52.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.99 122.66 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -108.17 119.49 5.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.24 117.61 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 m -107.28 122.44 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.28 158.85 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -121.6 121.46 37.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.8 -29.04 32.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -57.8 -42.09 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -176.39 93.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -176.52 126.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.413 ' CD2' HD12 ' A' ' 121' ' ' ILE . 16.5 t80 -83.11 -60.49 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.413 HD12 ' CD2' ' A' ' 120' ' ' TYR . 26.7 mm -101.2 135.74 19.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.55 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.37 2.047 . . . . 0.0 112.384 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.9 mt -123.49 86.42 52.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.83 148.99 41.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.589 2.192 . . . . 0.0 112.354 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.7 m -153.95 160.24 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mp -130.18 132.92 46.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.02 147.48 26.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.22 158.01 52.71 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.534 2.156 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.85 160.89 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.05 143.51 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 m -113.84 120.79 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 130.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -161.92 175.19 38.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.571 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.4 115.0 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.67 -119.02 15.63 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.562 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.06 -37.31 2.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.548 2.165 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.8 m -75.43 135.48 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 18.1 m -138.04 148.01 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -130.53 141.67 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.03 121.93 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -114.62 125.37 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.9 p -115.41 144.87 43.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -111.66 113.21 25.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 155' ' ' PHE . 1.7 pt -125.8 99.9 31.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 137.88 33.96 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.506 2.138 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.82 -94.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.0 p -88.78 177.05 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -103.0 157.88 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -162.7 -63.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.17 35.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.14 34.75 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -174.99 149.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 28.8 m -121.36 110.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -106.88 134.61 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 144' ' ' ILE . 49.2 m-85 -107.45 116.1 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.9 146.1 28.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -141.92 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 145.2 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.01 151.03 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.14 147.05 48.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.86 124.95 50.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.49 144.88 25.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.63 111.91 3.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.72 107.75 20.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -96.06 179.16 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.5 130.88 52.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -85.06 122.54 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -109.06 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.27 -48.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.851 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -175.67 151.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -18.39 58.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.448 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -77.09 -57.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.602 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.89 -25.94 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -74.86 -40.48 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.5 mmt -76.36 -30.74 57.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -59.17 -28.96 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 p -57.9 -34.79 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -45.4 41.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -35.18 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -39.18 84.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.36 -47.23 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.75 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.91 -36.79 72.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.85 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -81.86 -39.45 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -53.42 14.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 60.42 54.42 3.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.84 113.57 3.43 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.511 2.14 . . . . 0.0 112.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -167.29 33.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -94.07 135.44 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.18 113.95 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.602 ' HD2' ' HB2' ' A' ' 159' ' ' ARG . 18.7 t0 -105.26 134.66 48.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.37 137.68 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 121.08 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 tt -140.69 126.62 11.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.85 121.67 8.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.77 144.21 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -99.88 142.93 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -133.41 118.73 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 60.97 111.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -123.5 145.46 48.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.95 176.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -86.73 -71.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' A' ' 38' ' ' ALA . 41.9 p90 -171.52 -48.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' HB3' ' CD2' ' A' ' 37' ' ' PHE . . . -97.81 143.65 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.32 117.87 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 165.54 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -65.96 -31.83 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -157.51 -63.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -60.77 121.02 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -123.52 -177.39 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -137.04 34.63 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.07 156.79 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.35 148.51 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -82.04 166.0 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.48 106.03 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -69.81 161.25 76.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.06 127.91 25.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.31 29.29 8.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.2 -112.7 4.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.601 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.96 150.28 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.75 149.83 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.35 144.29 9.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -111.86 155.68 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.89 141.45 40.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -147.22 118.22 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.92 135.89 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 122.33 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.55 -21.83 18.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.393 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 26.12 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.234 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.17 52.13 38.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.56 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.03 154.68 49.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 115.44 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -110.12 132.63 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.12 127.34 3.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.17 153.69 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -126.91 118.05 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.05 110.06 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 tpp -114.01 163.63 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.1 138.19 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -130.15 153.03 48.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 82' ' ' TRP . 10.0 tttp -98.45 102.87 14.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HD2' ' HG3' ' A' ' 83' ' ' GLU . 6.3 m-20 -62.15 156.85 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 t -70.43 -30.05 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -67.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -176.79 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.5 177.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 82' ' ' TRP . 6.4 m95 -112.89 147.59 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HG3' ' HD2' ' A' ' 77' ' ' ASP . 1.6 mt-10 -88.53 124.83 65.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.88 150.17 20.82 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.157 . . . . 0.0 112.407 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -141.93 116.99 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.03 157.93 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.95 162.21 27.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -143.13 133.83 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.31 169.4 24.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.642 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -131.84 149.07 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.28 153.06 41.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.4 m -103.71 132.25 50.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.47 134.6 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -151.93 139.08 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -120.51 101.89 45.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.39 -45.25 38.89 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.479 2.119 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.96 -179.23 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.94 41.48 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -107.69 -51.02 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.84 27.81 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 56.5 31.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.14 125.82 25.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -115.54 153.13 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.1 tt -147.78 143.16 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.34 137.03 7.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.78 136.38 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.92 -166.54 38.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -126.02 159.59 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.5 p -132.85 146.98 52.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.11 113.95 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -102.63 124.25 8.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.7 m -115.98 131.39 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.1 p -135.48 154.01 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.79 159.01 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.79 -172.46 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -106.7 35.83 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -147.22 73.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 65.73 -76.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.95 -174.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.789 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.66 104.83 56.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.01 146.13 76.17 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.64 120.61 80.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.01 166.0 25.49 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.132 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.07 120.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tp -96.23 124.47 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.98 146.06 22.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 143.5 40.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.381 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mp -147.6 160.93 42.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -133.93 -176.57 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.4 p -170.32 157.55 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.94 123.38 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.02 113.13 4.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -129.63 114.92 16.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.14 -149.49 30.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.596 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.64 -10.84 27.27 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.609 2.206 . . . . 0.0 112.598 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.8 m -104.65 155.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.1 125.74 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.54 138.62 42.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.69 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.6 mtt -107.06 155.99 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.3 m -129.85 136.61 49.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.61 122.37 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.39 99.87 12.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.73 125.94 10.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.443 2.095 . . . . 0.0 112.325 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.12 172.12 41.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 t -105.42 77.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.15 -179.07 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -72.43 -34.84 68.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -106.64 -48.42 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.32 33.55 77.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.99 91.88 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.39 132.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -124.45 133.41 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.87 140.01 38.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -118.89 136.86 53.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 119.1 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.0 141.52 28.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.602 ' HB2' ' HD2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -143.8 153.98 42.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.95 129.35 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.84 128.16 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.45 146.13 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.05 157.42 18.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.93 142.27 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.51 153.47 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -90.93 150.2 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -106.02 127.41 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -111.74 -60.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -124.77 79.89 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.822 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.874 0.368 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.66 29.1 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.8 -19.75 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.05 -57.09 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.76 -25.9 64.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.761 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -71.79 -30.19 65.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 tpt -59.37 -30.13 68.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 p -58.66 -36.06 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 m -75.52 -41.87 54.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -69.76 -31.04 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -56.12 -30.53 62.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -42.35 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.43 -41.88 84.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.85 -30.3 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.4 41.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.77 -44.86 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.9 m -59.44 -39.16 82.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -65.85 -40.21 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.84 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HG3' ' CD1' ' A' ' 61' ' ' TRP . 55.3 Cg_endo -70.07 90.63 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.574 2.182 . . . . 0.0 112.283 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -134.26 31.34 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -65.02 137.8 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -106.94 122.02 45.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -117.13 115.94 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tt -103.02 119.32 38.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -113.2 150.75 31.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.12 153.54 29.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.92 -168.15 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.159 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.54 -169.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 tp -157.72 143.35 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.09 92.38 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.41 124.31 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -170.59 -48.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.41 -35.78 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 60.72 31.69 20.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -159.47 86.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.3 124.2 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.43 153.62 38.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.76 120.22 41.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -159.42 177.2 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.55 152.72 36.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 64.22 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -174.1 149.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.93 -38.17 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -177.42 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -123.02 162.98 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -112.99 129.81 56.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -81.76 166.01 20.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -84.53 131.83 48.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.26 -171.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.456 2.104 . . . . 0.0 112.311 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.93 49.0 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.95 171.73 4.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.558 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.2 141.41 3.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.16 -174.24 24.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -127.14 174.11 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.41 153.88 25.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.52 177.95 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -144.15 150.49 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -151.22 139.47 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.404 ' CD1' ' HG3' ' A' ' 21' ' ' PRO . 63.3 p-90 -91.04 131.26 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.95 127.8 54.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.39 -22.22 11.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -91.22 26.09 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.255 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.45 51.28 53.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -131.99 157.01 45.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -131.01 90.14 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -70.39 137.21 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.72 131.73 6.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -88.36 142.55 27.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -124.5 118.33 26.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.32 109.97 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.13 178.05 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.45 138.02 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 83' ' ' GLU . 16.8 p90 -113.15 122.23 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 140.41 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -120.01 169.19 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -71.16 -29.35 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -119.16 -42.06 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.39 119.34 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -53.95 140.96 29.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -59.95 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mm-40 -146.2 124.97 6.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.39 169.63 16.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.476 2.117 . . . . 0.0 112.417 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.7 tt -155.91 123.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -123.65 144.36 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.24 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.34 177.17 43.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.412 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 11.0 m-85 -119.31 151.49 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.03 157.61 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -114.52 147.27 39.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -146.94 152.97 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -129.21 114.1 15.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 p -81.61 143.77 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.88 154.35 50.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -97.13 144.74 28.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.03 -167.69 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.5 2.134 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -122.97 -43.83 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.79 42.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.58 156.63 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -116.75 -34.48 4.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.05 35.35 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -124.06 140.6 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -123.87 144.58 49.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.04 129.43 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -161.56 178.12 37.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -142.39 168.56 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.59 -173.34 44.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -130.16 137.44 50.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.8 m -112.51 130.08 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.75 114.04 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.13 143.98 15.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.22 127.56 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 m -103.68 113.93 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.84 122.62 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -69.83 151.59 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.69 -30.96 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 36.96 2.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -151.65 -177.91 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.86 -162.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.799 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 71.12 157.38 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.905 0.383 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.89 153.48 92.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.1 -173.76 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.569 2.179 . . . . 0.0 112.357 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.8 tt -128.01 98.98 26.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.62 153.6 64.86 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.384 2.056 . . . . 0.0 112.224 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.5 m -153.97 129.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.6 mp -112.8 129.28 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.7 mt -138.18 125.14 13.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.78 153.62 61.32 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.411 2.074 . . . . 0.0 112.188 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -165.18 159.75 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.88 162.9 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.98 118.04 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.01 124.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.38 -167.98 41.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -145.93 146.96 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.23 -146.26 36.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.42 -17.35 44.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.3 113.61 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 127.83 34.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.42 130.71 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 115.98 28.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.9 mtt -101.34 126.53 48.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.23 140.05 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -109.49 159.05 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 11.4 tt -134.15 100.0 13.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.27 139.61 53.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -139.01 111.6 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.5 m -94.3 133.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 60.36 31.63 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -146.08 -169.99 3.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -167.14 160.21 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.97 29.25 4.4 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.96 115.34 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.5 m -107.71 129.95 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.76 137.59 55.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -106.01 119.61 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.71 133.01 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -129.2 144.21 51.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 23.1 mmm -92.73 147.88 22.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -137.8 135.71 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -117.92 146.94 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.26 140.47 36.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.99 118.65 14.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.6 148.69 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -94.35 107.47 19.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.977 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -131.82 177.12 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -142.96 140.24 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -100.45 99.59 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 114.01 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 141.48 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.2 m80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -177.53 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -21.86 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.455 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -56.99 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.6 -25.76 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -76.29 -34.44 59.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 ttm -63.78 -38.5 91.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -43.05 92.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.3 t -78.03 -31.42 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -30.95 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -57.99 -35.11 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -78.89 -31.27 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -72.68 -48.19 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.35 -46.32 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -67.08 -47.28 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 m -64.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -46.31 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -70.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 58.62 80.46 0.28 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.21 90.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.327 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.31 82.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -151.93 152.91 33.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -84.17 143.34 29.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -122.89 126.49 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 132.89 55.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.44 113.55 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.6 mt -129.73 136.02 28.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.51 101.16 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.431 2.087 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.26 179.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.96 158.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -150.17 167.57 26.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -108.74 104.41 13.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 121.47 24.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.34 152.09 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -72.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.08 86.69 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.79 148.46 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -107.58 113.8 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.88 107.95 16.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -151.2 31.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -134.6 176.08 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -106.43 31.92 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -103.95 148.91 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -151.15 83.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.01 31.96 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -75.29 119.85 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.37 149.16 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -98.67 152.3 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -134.76 139.9 33.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.83 136.39 32.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.469 2.113 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -97.86 36.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 -81.98 1.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 -158.85 51.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.96 147.87 19.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.548 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 p90 -150.58 146.14 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.71 -144.97 5.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.73 169.08 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.71 140.9 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -109.39 147.6 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -113.43 144.67 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.94 130.67 52.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -56.28 -20.5 18.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.483 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -90.76 26.08 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.669 0.271 . . . . 0.0 111.287 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.59 54.25 27.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.584 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 114.76 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -104.89 97.7 7.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.97 148.9 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 121.66 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -132.04 123.57 27.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -152.98 132.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.97 118.35 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.94 143.33 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.22 139.01 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -105.99 108.91 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -83.09 135.99 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -92.63 -179.13 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.7 p -76.58 -31.18 57.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -112.79 -70.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -168.7 93.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.23 52.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -61.81 125.51 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -99.68 125.06 41.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.08 126.25 9.8 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.503 2.136 . . . . 0.0 112.318 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.476 HD11 HG23 ' A' ' 85' ' ' ILE . 23.5 mt -149.67 154.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.75 152.4 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.27 135.96 5.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.537 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -156.94 145.09 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.21 -172.9 32.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 22.0 m0 -101.1 149.99 23.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.41 131.55 30.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.54 111.3 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -95.47 142.55 27.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -123.42 126.79 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.405 ' HB3' ' CD2' ' A' ' 103' ' ' HIS . 2.5 ptt85 -124.47 101.82 33.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.93 -49.31 17.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.457 2.104 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.71 -50.72 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.9 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.37 -57.09 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.09 -74.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -176.11 37.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -102.82 125.27 49.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.405 ' CD2' ' HB3' ' A' ' 95' ' ' ARG . 71.0 m80 -133.07 149.01 52.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.56 123.84 15.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.56 -159.48 9.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.84 160.2 35.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.7 -170.29 26.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 90' ' ' TRP . 17.4 p90 -142.1 123.25 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.0 p -103.12 131.7 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.63 116.51 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.09 150.64 19.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.65 130.96 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 t -135.1 110.25 8.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.0 138.25 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 110.82 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.49 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.68 37.27 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -159.96 -45.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -93.86 -178.65 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -133.02 37.68 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -119.84 92.92 47.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.29 -168.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.547 2.165 . . . . 0.0 112.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 tp -123.26 88.15 51.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 150.5 49.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.64 2.227 . . . . 0.0 112.312 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.98 123.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.55 139.41 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 tp -148.03 108.05 3.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.05 144.06 16.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.544 2.163 . . . . 0.0 112.635 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.36 -178.96 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -116.71 144.18 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -110.21 126.67 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.93 114.97 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.65 111.01 4.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.55 114.96 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.823 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.23 -150.65 40.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -3.32 13.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.691 2.261 . . . . 0.0 112.75 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.02 155.09 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 111.211 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 144.61 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.43 145.97 48.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -132.69 152.38 51.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.93 118.46 21.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 23.8 m -93.97 116.87 29.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -141.78 121.78 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.8 mt -104.82 99.98 21.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 134.29 27.41 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -145.39 168.48 27.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.4 t -116.2 118.21 32.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 60.38 33.29 20.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.74 -43.19 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 60.55 175.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.12 42.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -81.83 120.84 25.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.58 123.25 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.76 115.47 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.04 139.93 38.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.73 140.22 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -129.93 147.27 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -110.88 138.38 47.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.5 144.0 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -127.98 146.89 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -124.75 131.01 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.39 119.2 38.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mt -132.97 162.51 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -117.91 126.04 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -100.97 30.66 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 4.2 m80 59.88 108.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -54.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -87.87 139.14 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.71 36.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.0 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.845 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 mtt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 60.52 95.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -21.08 58.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.342 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.17 -49.92 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -79.72 -25.87 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -68.34 -32.45 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -77.92 -31.13 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 p -69.21 -42.1 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -34.76 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.97 -31.02 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -56.34 -31.2 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -36.95 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -70.41 -45.36 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.3 pt -65.22 -35.97 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.98 -56.73 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -56.22 -48.0 77.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -62.83 -29.74 70.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -59.44 -55.19 37.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -75.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.28 -60.84 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.51 152.48 38.5 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -110.02 -31.91 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -152.44 179.98 8.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.43 143.31 50.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -136.0 163.37 30.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.77 133.95 40.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.77 114.37 22.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.33 151.75 72.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.19 149.93 20.73 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.562 2.175 . . . . 0.0 112.369 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.04 79.33 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 tt -122.71 134.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 t -67.74 113.81 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -106.04 31.43 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -72.96 -61.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.25 133.95 51.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.41 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -171.41 75.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 93.08 5.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.55 86.88 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -69.08 142.69 54.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 -41.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.02 107.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -104.23 -37.35 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 t -126.27 36.22 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.38 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -129.51 -47.58 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.48 162.31 8.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -106.98 165.65 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -81.74 153.24 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -87.35 162.46 42.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.37 -60.88 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.556 2.171 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.415 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.1 OUTLIER 60.27 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.9 165.42 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.45 45.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.53 -175.7 45.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.69 174.04 11.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.46 163.78 29.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.96 178.01 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 151.46 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.78 169.85 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 67' ' ' TRP . 43.3 m95 -110.62 138.83 46.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -114.62 126.14 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.63 -21.83 11.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.45 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 26.05 2.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.265 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.59 65.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.399 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -132.02 157.09 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.318 . . . . 0.0 111.007 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 61' ' ' TRP . 24.2 m95 -118.58 98.63 6.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -68.03 142.94 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.51 125.09 2.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.83 150.42 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -139.99 120.85 14.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 110.01 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.3 mtt -117.34 162.34 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.12 137.94 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.11 157.07 35.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.38 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.58 151.04 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -79.09 -3.22 44.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -139.44 -47.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -83.8 -171.33 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -172.33 2.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -62.42 128.23 35.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -100.64 124.93 40.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.28 163.07 25.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.406 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -147.94 117.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.34 148.31 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.39 145.37 11.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -156.89 116.19 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.41 169.03 25.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.622 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -121.56 121.78 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -111.57 153.02 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.44 121.36 44.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 t -74.08 145.32 44.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.91 107.91 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -109.36 146.9 34.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 179.52 5.32 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.473 2.115 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 tp -106.75 63.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.44 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -106.86 131.98 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.39 34.3 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -107.71 -51.54 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.43 118.95 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -106.18 134.48 49.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.98 135.42 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.6 130.97 5.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.21 128.4 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.7 -159.94 25.4 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.562 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -113.79 162.82 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.3 m -139.28 118.07 12.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 114.07 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -124.84 156.9 18.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.0 140.13 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 135.43 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.4 139.89 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -174.79 91.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.46 -174.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -92.75 -52.52 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -98.18 105.76 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.82 108.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -132.37 -69.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.45 139.2 34.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 177.97 8.07 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.541 2.161 . . . . 0.0 112.393 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -113.34 89.16 14.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.98 152.22 73.34 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 m -150.03 123.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 123.69 48.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.43 156.55 49.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.9 147.77 94.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.571 2.181 . . . . 0.0 112.154 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.33 148.21 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.64 133.75 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.9 p -117.11 150.4 38.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.3 118.81 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.03 114.14 4.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.89 114.96 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.52 -150.49 38.04 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.74 -5.99 17.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.645 2.23 . . . . 0.0 112.731 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.3 m -112.34 155.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.68 125.15 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.39 143.6 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.14 147.29 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 28.7 mtt -154.98 133.76 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.7 t -114.58 135.46 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.91 157.59 17.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 tp -100.64 133.01 21.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.2 132.25 20.68 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 145.7 146.65 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.476 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.14 33.73 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.44 167.47 2.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.63 118.69 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.4 170.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.95 28.51 56.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.25 149.72 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.73 129.45 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -111.82 138.31 48.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -104.07 133.65 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.75 168.02 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.97 162.31 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.3 mmt -110.41 138.44 46.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -129.44 152.35 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.54 141.76 46.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.26 118.22 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -105.1 124.67 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.82 144.18 44.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -112.97 106.59 14.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -104.27 179.02 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -42.15 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -104.72 128.7 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.65 36.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -62.43 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.911 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttm . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.753 0.311 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -120.48 79.58 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.56 -22.67 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.482 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -76.95 -57.06 4.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.36 -26.0 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -78.98 -30.58 44.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -59.65 -39.97 86.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -30.89 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -68.98 -52.58 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -59.56 -30.54 68.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -45.44 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -61.87 -41.14 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 10' ' ' PHE . 18.2 mt -73.14 -30.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.5 -55.09 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.82 -31.54 69.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 p -72.23 -30.02 64.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -75.22 -44.84 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -73.21 -19.95 60.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -54.39 -61.08 6.08 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.135 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 20' ' ' GLN . 54.5 Cg_endo -69.67 -167.83 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.484 2.123 . . . . 0.0 112.354 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 62.71 110.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -143.29 135.59 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -90.22 135.46 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.868 ' HD2' HH21 ' A' ' 159' ' ' ARG . 1.7 m-20 -126.67 121.39 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.43 129.42 55.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -124.98 112.98 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -139.97 138.78 20.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.8 161.61 4.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.066 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.61 -31.13 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -106.74 131.35 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.44 -69.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -168.31 143.25 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -103.54 110.29 22.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.27 -42.39 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 60.71 34.23 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -124.56 31.7 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.4 118.62 13.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.08 128.26 33.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -72.27 97.97 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -156.17 -65.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 60.26 105.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 167.64 26.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 m -127.08 141.96 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.99 -176.65 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -70.37 -34.55 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 55.7 p90 -83.68 121.59 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.89 155.48 23.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 135.39 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -104.02 90.62 3.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.16 135.22 33.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.493 2.128 . . . . 0.0 112.386 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -122.98 26.36 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.38 54.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.82 176.78 47.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.25 161.33 26.02 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -149.01 139.59 22.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.95 -164.79 30.81 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.13 178.04 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -154.49 170.76 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 138.05 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -103.83 136.05 44.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.5 120.69 42.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.36 -23.24 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -26.11 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 42.5 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -132.03 155.2 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -140.18 101.45 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -98.96 137.29 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.66 124.35 2.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.646 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.9 tp -121.2 128.87 52.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.651 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 p90 -158.19 166.04 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.6 109.91 21.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.7 ttt -99.21 171.97 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.636 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.53 137.96 4.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.368 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -128.21 106.9 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.482 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 82' ' ' TRP . 35.3 mttm -125.51 129.02 48.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.51 -169.29 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -86.8 -28.94 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.28 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -106.03 -159.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.24 27.57 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.428 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -64.51 157.3 27.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -154.27 157.26 32.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.185 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.68 153.46 26.37 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pp -156.05 133.8 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.62 158.04 45.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 -162.39 36.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -131.47 153.01 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.38 130.8 6.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -108.82 137.75 46.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -154.98 153.07 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -100.75 122.04 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -93.78 147.74 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -144.69 148.25 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 101.95 48.91 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -46.29 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.11 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.53 178.45 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.48 37.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.18 -66.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -141.56 -47.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -176.61 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.99 103.29 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 134.07 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.52 116.0 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.1 175.02 34.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 mp -142.84 169.33 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.25 -161.34 30.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -133.68 132.92 41.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -96.14 120.66 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.3 125.24 46.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.08 162.3 23.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.7 m -146.13 143.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.228 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.2 m -112.44 125.47 54.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.64 143.44 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -90.28 -179.35 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.84 -35.34 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -76.24 -27.8 56.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 63.79 91.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.61 139.74 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 60.19 -177.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.98 148.03 91.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.37 -168.06 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.617 2.212 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.2 90.6 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.06 149.14 71.05 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.498 2.132 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 144.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mp -136.91 126.15 24.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.84 133.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.37 126.02 9.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.404 HD23 ' CZ3' ' A' ' 157' ' ' TRP . 3.4 mp -129.83 170.88 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.94 123.4 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -90.94 114.05 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.72 122.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.89 -168.29 40.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.98 147.09 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.49 -148.31 44.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.24 -11.28 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.599 2.199 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.32 128.77 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.01 131.38 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -102.19 138.66 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -114.41 139.3 49.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.4 tpp -121.09 118.87 30.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.54 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -150.52 124.14 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.14 122.92 72.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 169.85 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.464 2.11 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.5 135.2 4.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 79.13 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.92 141.3 40.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.79 37.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -163.69 115.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 98.1 29.65 7.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.0 90.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.57 120.98 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -127.7 124.04 36.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.62 151.77 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.4 139.59 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.404 ' CZ3' HD23 ' A' ' 129' ' ' LEU . 9.5 m0 -121.19 165.7 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.2 mtt -104.83 145.54 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.868 HH21 ' HD2' ' A' ' 25' ' ' ASP . 59.3 ttt180 -129.84 135.09 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.2 124.14 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -98.69 113.04 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -94.43 137.27 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 tp -144.38 163.24 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.52 139.79 49.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -110.85 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -171.87 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -59.95 177.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -159.56 31.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 55.0 m80 60.4 107.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 68.7 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.924 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mtt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.786 0.326 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -116.75 142.28 47.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.55 -21.34 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.349 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.04 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.4 -26.01 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.32 -43.54 70.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.08 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -59.58 -39.61 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -69.76 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.81 -38.07 89.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -70.96 -31.3 67.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.61 -56.99 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 pt -70.47 -34.11 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.46 94.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -33.5 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 m -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -73.83 -29.24 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -59.59 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -121.97 84.09 44.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.49 151.71 17.78 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.577 2.185 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -94.3 -68.96 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -158.96 170.42 22.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -115.17 140.98 48.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HD2' ' HB2' ' A' ' 159' ' ' ARG . 2.1 t70 -141.18 124.49 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -102.21 146.64 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 124.98 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.5 149.57 44.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 177.65 5.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.42 -41.42 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.31 142.39 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -82.35 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.1 126.04 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 171.01 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.94 132.48 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.58 155.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.41 100.23 9.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.03 151.92 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.79 103.37 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -113.08 141.05 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -91.25 -44.09 9.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 60.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -112.84 -171.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -177.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.02 116.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -98.92 32.4 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.39 96.96 7.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -89.83 135.55 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.66 151.51 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -139.55 79.23 24.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.67 -174.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.322 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -133.0 124.52 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.7 172.95 23.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.56 166.63 18.05 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.15 141.86 13.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.42 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 7.4 m-85 -148.0 153.62 39.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.89 -166.54 39.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mp -135.16 176.53 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 142.48 43.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -107.03 142.08 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -108.32 135.95 48.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.23 130.77 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -14.82 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.498 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.88 26.03 2.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.745 0.307 . . . . 0.0 111.308 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.8 48.22 28.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.661 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.06 154.05 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.73 103.08 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.4 126.0 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.25 109.92 2.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.571 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mp -123.46 130.26 52.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.06 156.82 42.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.21 113.67 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -111.53 154.1 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 152.38 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -138.05 155.7 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 97.0 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -173.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.4 m -81.59 -2.97 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.428 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.2 20.58 8.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.718 0.294 . . . . 0.0 111.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.2 m120 54.3 30.52 12.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.18 45.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -87.29 113.14 22.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.21 124.97 85.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.33 143.45 19.69 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.123 . . . . 0.0 112.405 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.9 116.99 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.41 139.91 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.02 136.02 5.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.37 -179.47 42.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -122.96 145.51 48.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.82 153.0 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 t -113.01 128.29 56.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.96 136.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -148.58 159.0 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -130.62 148.05 68.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HG2' ' CE1' ' A' ' 102' ' ' PHE . 50.5 Cg_exo -53.66 -172.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.586 2.191 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tp -102.77 31.82 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.98 -64.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.67 170.82 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -109.96 54.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -102.42 -49.54 3.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 96' ' ' PRO . 45.9 p90 -111.47 136.26 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -116.47 162.14 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.72 124.62 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.68 147.81 18.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.53 126.66 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.54 -160.02 23.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 149.04 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -132.79 117.18 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.83 139.16 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 176.38 21.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.04 137.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.282 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.44 137.44 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.77 123.04 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -169.68 117.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.56 171.0 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.86 -68.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -76.81 -67.88 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -173.51 142.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -171.27 169.59 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 tp -93.43 135.09 25.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.61 167.44 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.592 2.195 . . . . 0.0 112.081 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.03 88.5 5.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.19 131.11 10.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.619 2.212 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.73 121.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.9 118.5 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.0 mt -147.87 156.04 44.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.26 130.93 23.7 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.6 2.2 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.3 170.56 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -151.42 124.32 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m -123.35 162.04 23.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.42 135.8 58.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.01 113.17 4.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.588 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.44 115.01 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.09 -150.24 40.44 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 -4.08 14.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.581 2.187 . . . . 0.0 112.791 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.6 m -114.49 155.09 15.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 111.236 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.4 m -134.03 108.17 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.03 146.0 49.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -136.18 160.06 39.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.816 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.94 158.49 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.1 m -132.0 126.16 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -148.16 140.87 24.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.7 mp -92.62 110.78 47.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -50.98 158.49 3.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.486 2.124 . . . . 0.0 112.383 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.4 -156.2 18.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.6 t -176.75 147.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -140.96 -47.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -162.9 -65.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -100.4 -35.2 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.62 27.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.48 -169.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.78 130.47 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.37 136.47 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -105.05 138.07 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.09 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.49 157.11 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 11.4 ttm -134.18 149.98 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.412 ' HB2' ' HD2' ' A' ' 25' ' ' ASP . 6.4 ptm180 -151.86 128.2 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -100.89 146.98 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -110.71 130.2 55.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.25 138.49 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -150.68 167.88 26.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -125.93 89.5 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.4 143.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.34 -56.39 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.75 36.08 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -144.98 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.1 m170 60.43 96.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.828 0.347 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -149.08 127.43 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.31 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.96 -57.12 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.693 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.72 -25.9 64.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -74.73 -32.19 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mtt -78.11 -46.52 20.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.3 t -59.39 -46.94 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 t -59.84 -44.26 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.67 -46.09 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -34.86 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.03 -34.48 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.43 -52.04 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -64.19 -33.2 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.065 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 t -58.63 -30.43 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -58.77 -60.81 3.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.73 75.95 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 172.06 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -95.86 -46.61 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -145.6 126.83 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 133.52 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.84 150.37 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 56' ' ' PHE . 1.3 tt -133.39 125.32 28.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -91.83 114.41 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.57 155.07 49.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.13 177.41 3.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.6 -69.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 pt -126.24 169.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -161.46 108.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.5 m0 60.69 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -126.65 80.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.9 131.82 55.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.0 35.12 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.89 145.11 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.04 -172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 21.5 p90 -121.34 96.33 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.74 132.6 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -78.59 97.83 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -123.34 -45.5 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 165.28 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 t -151.53 168.17 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.08 -171.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 63.67 101.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.4 140.08 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -120.97 145.09 48.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.76 151.64 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -90.49 106.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.35 157.58 61.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.45 2.1 . . . . 0.0 112.24 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -112.31 179.55 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.76 100.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.56 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.91 -157.33 26.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.415 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 26.7 m-85 -136.48 174.03 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.53 170.57 43.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mp -127.28 177.89 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.15 157.39 43.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -145.49 149.84 35.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -94.74 139.74 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -114.6 127.11 55.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -51.36 -23.36 3.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.625 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 26.11 1.8 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.68 0.276 . . . . 0.0 111.312 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.27 48.13 87.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.0 130.19 41.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -108.29 99.29 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 138.54 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.75 120.19 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.542 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.8 pp -123.7 120.97 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 27' ' ' TYR . 55.5 p90 -140.99 162.73 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.87 119.24 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ptp -117.6 172.54 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.09 142.4 26.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -112.31 126.21 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -122.03 115.71 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -175.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -31.26 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -83.45 -77.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -170.2 34.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.88 81.17 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -111.48 131.54 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.13 141.59 18.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.07 156.65 38.36 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.599 2.199 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 85' ' ' ILE . 23.4 mt -150.36 124.27 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.47 157.91 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.6 136.76 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 70' ' ' LEU . 11.3 t80 -157.01 128.89 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.02 -159.66 15.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 51.4 p-90 -138.38 150.01 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.96 143.09 33.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 m -88.31 111.11 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 p -79.89 148.88 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.4 136.02 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -123.41 151.56 63.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 -23.02 28.76 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 0.0 112.415 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.06 79.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.54 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -109.56 -25.82 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 63.69 79.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -152.72 -46.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.31 111.0 21.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.76 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 pp -111.24 148.09 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.6 161.14 30.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 tt -159.62 140.74 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.56 -159.98 23.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 6.8 m-85 -120.32 149.32 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 68.7 p -129.94 136.56 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 114.02 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.2 136.97 13.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.01 139.49 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -146.36 131.49 18.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.04 130.31 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -153.16 102.77 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -168.14 -178.2 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -104.01 112.14 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.4 m0 59.9 36.27 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -145.33 161.73 38.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -139.44 77.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.6 pt -108.27 109.81 61.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 119.78 6.81 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.78 98.99 7.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.27 156.53 64.34 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.354 2.036 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.19 130.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.18 120.07 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.42 99.95 4.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.789 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 55.8 Cg_endo -70.13 141.37 43.56 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.496 2.131 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pp -155.36 170.9 20.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.46 157.49 43.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 p -130.62 130.49 44.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.56 132.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.46 -149.08 21.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.616 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.41 147.27 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -45.98 -58.53 5.54 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 25.7 Cg_endo -62.24 -30.77 81.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.417 2.078 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.0 m -136.84 110.92 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.79 148.03 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -102.28 124.69 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.09 139.84 39.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.13 118.18 30.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -103.46 127.1 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.46 119.52 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.4 mt -84.95 129.73 55.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -73.55 127.48 11.78 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 90.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.56 -57.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -158.35 -46.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -152.65 169.79 21.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.63 33.09 8.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.27 103.84 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.14 148.2 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -107.25 127.58 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -105.89 120.25 41.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.51 155.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -148.19 138.62 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.9 mtt -90.85 144.85 25.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.26 135.6 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.08 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -126.17 115.29 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.95 -175.16 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.2 mt -119.57 148.98 42.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.91 144.57 50.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -117.19 -63.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -121.42 -175.15 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.72 170.82 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -60.14 111.37 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.2 168.53 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.905 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.713 0.292 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.04 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -76.8 -30.92 56.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -42.22 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -58.82 -31.06 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.59 73.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.97 -37.88 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -30.86 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -30.66 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.41 -43.05 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 17' ' ' THR . 36.6 mm -67.0 -30.91 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.22 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -49.13 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 14' ' ' ILE . 7.3 t -60.11 -36.17 76.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -62.68 -36.86 84.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.792 0.247 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.7 64.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.65 133.0 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 106.53 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -100.44 141.85 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.77 118.26 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.8 113.01 24.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.07 136.28 27.36 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 151.29 26.35 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.455 2.104 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.037 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.56 -155.63 23.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.499 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.57 14.22 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.56 162.58 25.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.8 p90 -148.42 142.82 26.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -166.9 -162.35 18.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 57' ' ' GLY . 4.5 mp -141.19 176.9 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.49 158.44 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -139.07 141.9 38.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -104.44 142.18 35.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -120.38 124.09 44.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.25 -21.1 21.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -91.13 25.99 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.274 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.72 52.36 39.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.05 133.83 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -115.4 102.04 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.73 130.78 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.17 109.99 1.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.7 120.13 38.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.766 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -144.41 146.81 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.98 109.97 11.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.75 140.83 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.92 138.36 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -114.77 128.41 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -115.29 113.11 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.07 168.61 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -82.46 -31.89 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -153.05 65.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -162.22 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.83 167.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -115.04 146.23 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.96 125.35 14.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.63 167.63 26.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.475 2.117 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -149.5 127.52 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -101.33 149.51 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.2 136.02 4.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -146.4 147.17 31.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.52 -168.45 32.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -131.81 147.26 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.1 152.04 31.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -109.62 117.32 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.4 m -88.82 122.48 32.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -109.23 126.27 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -107.35 139.36 20.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.09 174.37 10.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.491 2.127 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.38 75.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.74 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -155.66 171.13 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.36 61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.72 -39.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -126.98 121.8 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 142.97 44.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.72 127.33 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.85 171.26 23.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 107' ' ' GLY . 0.6 OUTLIER -160.71 150.43 17.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.463 ' N ' HD23 ' A' ' 106' ' ' LEU . . . 172.64 -162.67 34.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -116.49 147.63 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -132.76 137.5 46.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.18 149.91 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.639 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -140.47 141.77 11.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.2 m -124.89 124.5 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -112.3 120.26 41.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -130.19 150.62 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.411 ' NH1' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -144.85 -177.61 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -169.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.16 -179.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -91.98 85.11 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -157.75 -53.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.17 178.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.1 pt -104.34 145.04 29.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 65.9 Cg_endo -73.94 -168.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.359 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.411 HD13 ' NH1' ' A' ' 115' ' ' ARG . 7.5 mp -126.97 92.39 44.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.49 147.12 70.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.112 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 111' ' ' GLY . 7.3 m -152.04 143.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.59 117.35 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mt -137.65 147.63 58.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.3 146.42 50.85 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.53 2.153 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 140' ' ' GLN . 0.5 OUTLIER -142.72 152.97 42.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.473 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -123.2 140.71 52.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -103.64 135.13 45.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.25 116.18 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.83 111.03 4.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.72 115.0 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.56 -150.33 38.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.35 -6.55 19.03 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.634 2.223 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 22.0 t -111.75 154.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 10.2 m -118.05 144.04 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -127.34 133.84 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.664 ' HB3' HD21 ' A' ' 129' ' ' LEU . 35.3 mt-30 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.5 mmm -94.1 144.05 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.09 124.1 51.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -105.55 144.97 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.96 99.95 6.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.42 151.94 65.63 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.458 2.106 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.92 146.28 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 10.7 m -104.24 97.93 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -137.45 -71.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -115.59 -61.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -105.41 -51.56 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.4 28.55 73.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -172.0 35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.6 m -86.2 133.36 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -112.98 129.53 56.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.93 162.18 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -142.75 139.77 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -137.43 151.78 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -94.11 140.63 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.04 137.57 39.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -88.4 124.76 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.9 117.07 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.99 -57.11 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.619 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -25.99 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.771 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -57.87 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.2 -42.37 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -65.05 -49.55 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.83 -31.65 71.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.23 -31.73 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.79 -53.06 23.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' ALA . 3.2 tt -60.47 -44.68 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -59.8 -35.24 74.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.13 -52.81 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -31.9 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.25 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.88 0.283 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.47 33.73 23.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.494 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -63.18 127.68 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.06 111.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.799 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.05 119.55 33.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.13 142.49 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 159' ' ' ARG . 7.6 m-85 -120.06 134.59 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.31 152.93 65.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 -171.37 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.239 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.89 178.63 16.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.23 147.67 5.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -114.7 145.15 18.58 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -152.0 152.79 32.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.528 ' O ' HD22 ' A' ' 58' ' ' LEU . . . 178.42 -163.52 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -133.55 173.51 11.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.2 p -133.46 145.64 50.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -108.74 145.85 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -100.82 108.18 19.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.1 122.33 30.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.59 -15.52 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.486 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.06 2.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.02 46.47 44.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.56 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.08 144.25 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.05 92.01 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.95 143.37 55.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.06 110.0 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.7 mp -124.05 123.07 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -155.49 151.54 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 159.61 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.0 ttm -133.97 163.55 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.78 138.02 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.97 106.98 17.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.89 130.24 34.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -117.72 -177.46 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -12.3 30.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.372 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 15.93 12.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.361 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 55.29 81.52 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.767 0.318 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -177.07 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 82' ' ' TRP . 39.3 p90 -77.93 126.15 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 124.87 61.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.7 143.66 10.82 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.653 2.235 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 85' ' ' ILE . 8.2 tp -156.03 124.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.66 158.05 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.73 135.99 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 34.2 p90 -146.86 136.48 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.61 179.38 33.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -106.05 141.92 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -132.93 141.64 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -126.57 120.47 29.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.9 p -80.69 128.21 33.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -125.6 154.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -106.43 101.91 38.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.5 133.96 25.35 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.455 2.103 . . . . 0.0 112.25 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.59 81.16 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.27 -65.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.02 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.4 -45.55 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -136.23 62.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.07 102.49 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 128.36 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 132' ' ' VAL . 7.2 tt -136.02 124.21 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -141.45 163.59 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.5 161.89 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.22 177.85 46.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -125.81 127.57 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.551 ' OG1' HD22 ' A' ' 129' ' ' LEU . 61.8 m -99.73 131.72 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -103.75 115.3 30.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.3 122.77 7.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 135.15 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.422 HG22 HD13 ' A' ' 85' ' ' ILE . 66.0 p -105.82 147.71 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.03 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 142.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.29 31.78 0.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -139.14 33.73 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 60.54 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 59.97 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.91 141.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.404 ' CD1' ' HD2' ' A' ' 122' ' ' PRO . 4.5 tp -79.56 135.86 56.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' CD1' ' A' ' 121' ' ' ILE . 66.6 Cg_exo -51.19 159.87 2.5 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 90.53 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 154.89 66.82 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.478 2.118 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 126' ' ' LEU . 21.6 t -152.06 159.06 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.478 ' N ' HG12 ' A' ' 125' ' ' VAL . 1.7 mp -142.35 115.01 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 mt -135.8 142.64 41.38 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.59 138.22 23.81 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.46 2.107 . . . . 0.0 112.391 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.725 ' CD2' HG22 ' A' ' 142' ' ' THR . 5.7 mp -132.54 173.9 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -148.56 167.93 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.86 121.51 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.5 t -141.23 122.95 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.76 -168.22 40.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -141.43 145.99 35.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.58 -144.06 41.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 160' ' ' PHE . 43.7 Cg_endo -68.16 -19.84 44.36 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.518 2.146 . . . . 0.0 112.393 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.96 111.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 131.76 31.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.4 129.89 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -109.07 116.18 31.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' MET . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 3.0 mmt -92.68 133.52 35.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.725 HG22 ' CD2' ' A' ' 129' ' ' LEU . 75.4 p -126.9 140.59 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -109.99 113.67 26.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.58 99.9 7.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.58 148.0 58.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.522 2.148 . . . . 0.0 112.316 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -60.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.4 m -116.1 151.28 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -99.23 31.14 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -137.4 29.81 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.31 -43.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.07 37.07 2.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.65 106.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.77 99.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.62 133.4 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.18 164.01 12.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.55 155.07 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -133.31 148.77 51.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 16.8 mtm -89.16 138.24 31.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 27' ' ' TYR . 1.6 ttm180 -122.8 130.46 52.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 136' ' ' PRO . 0.6 OUTLIER -133.6 135.84 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -86.3 139.63 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 160' ' ' PHE . 96.6 m-85 -133.79 175.23 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.648 0.261 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.15 -57.14 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.649 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.18 -25.9 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -76.78 -31.0 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mmm -77.4 -41.63 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -61.11 -29.77 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -42.06 85.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -38.94 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.68 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mm -73.61 -31.03 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.77 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -69.93 -45.05 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -59.82 -31.85 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -83.85 -61.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.777 0.24 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -167.99 33.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -121.76 144.08 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -115.84 103.14 10.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 152.91 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.15 119.16 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -93.69 112.97 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 155.73 80.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 159.77 50.25 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 112.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.8 -84.65 1.34 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.5 164.26 17.1 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 151.27 16.94 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -151.98 131.13 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.4 -151.04 6.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.55 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mp -141.59 176.15 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.6 m -135.45 160.61 37.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -136.22 162.15 33.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -115.58 133.7 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.77 126.48 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.31 -19.39 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -91.62 26.11 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.314 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.23 49.92 49.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.543 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.05 154.41 49.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -122.39 115.39 22.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -96.09 126.09 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.32 111.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.4 pp -129.25 130.05 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -153.91 151.02 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.21 124.79 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.8 mtm -92.37 171.78 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.68 138.02 19.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.12 152.39 41.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -105.54 110.09 22.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.99 161.85 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -93.0 -16.77 24.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 2.3 p-90 -152.86 30.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -153.44 -166.99 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -91.7 163.15 14.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.437 ' CD1' ' HG2' ' A' ' 76' ' ' LYS . 10.8 m0 -60.2 142.27 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.84 124.94 29.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.71 157.34 35.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.494 2.13 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.49 HG23 HG22 ' A' ' 113' ' ' THR . 4.0 mp -142.91 142.99 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 146.38 40.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.76 137.86 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -144.68 130.03 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.2 151.97 24.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.66 119.97 25.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -138.94 152.92 48.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -109.08 127.15 53.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.6 p -99.3 150.02 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.65 154.58 51.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 101.9 14.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.18 -169.76 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.482 2.122 . . . . 0.0 112.213 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mp -99.71 -33.79 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.5 69.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.23 147.33 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -112.38 -28.3 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.76 31.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -127.08 120.9 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -104.94 151.45 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.56 125.32 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.37 163.37 31.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.71 160.24 39.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -165.72 35.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.547 ' HB3' HD21 ' A' ' 126' ' ' LEU . 38.6 m-85 -119.49 129.29 54.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 129' ' ' LEU . 1.4 p -109.33 113.42 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.64 159.59 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.21 129.61 2.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p -116.09 140.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.49 HG22 HG23 ' A' ' 85' ' ' ILE . 23.3 p -120.02 159.46 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -114.63 142.01 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.631 ' NH2' HD22 ' A' ' 123' ' ' LEU . 11.3 mtm-85 -154.93 136.23 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.85 41.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -104.15 109.46 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 67.28 -72.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.54 177.07 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.37 30.92 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.2 mm -109.53 127.15 27.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 161.79 4.74 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.371 2.047 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.631 HD22 ' NH2' ' A' ' 115' ' ' ARG . 5.5 mp -110.42 86.11 5.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 156.8 60.36 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.9 t -152.24 146.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 108' ' ' PHE . 1.1 tt -134.26 126.86 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 127' ' ' LEU . 6.5 tp -147.85 138.86 13.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.62 137.62 50.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.528 2.152 . . . . 0.0 112.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.669 HD21 ' HG2' ' A' ' 140' ' ' GLN . 8.2 tt -143.78 152.8 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.73 138.97 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.6 p -106.68 140.82 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.817 HG13 ' HB2' ' A' ' 139' ' ' PHE . 12.2 p -143.82 124.93 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -93.95 116.1 5.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -123.37 114.88 20.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.58 -150.4 38.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.52 -5.39 16.83 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.629 2.219 . . . . 0.0 112.681 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 21.7 t -112.32 155.09 13.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 111.25 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -102.21 147.99 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.817 ' HB2' HG13 ' A' ' 132' ' ' VAL . 9.4 m-85 -122.72 146.01 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.669 ' HG2' HD21 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -140.7 125.89 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 mtt -122.57 123.37 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 138.68 31.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -104.16 146.27 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.966 HD12 HG23 ' A' ' 153' ' ' VAL . 24.3 mt -136.01 135.78 21.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 128.27 15.61 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.465 2.11 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.23 -138.37 10.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m -119.51 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -172.09 136.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.26 -78.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.79 174.55 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.92 28.69 7.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -110.04 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.966 HG23 HD12 ' A' ' 144' ' ' ILE . 6.1 m -106.36 144.42 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -127.23 138.11 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.07 149.48 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.22 157.05 43.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -166.31 142.76 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.43 146.22 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -123.44 122.44 38.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.6 142.15 36.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -116.52 122.05 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -130.32 166.63 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.657 0.265 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -25.91 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -67.28 -39.36 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.1 mmm -60.25 -31.55 70.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -31.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -69.99 -31.28 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.95 -55.9 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.06 -31.04 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -71.07 -30.92 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -73.24 -39.32 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm -70.89 -42.8 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.37 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -38.6 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.15 -32.32 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -72.56 -31.73 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.798 0.249 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.21 -64.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -113.03 178.69 4.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.07 165.11 13.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.01 123.56 32.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.69 124.69 42.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -107.2 127.43 53.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 tt -143.37 134.95 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 161.01 47.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.46 2.107 . . . . 0.0 112.281 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.097 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.28 -96.54 2.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.13 165.49 12.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.35 159.08 23.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -151.45 152.81 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.77 -164.86 37.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -131.96 173.7 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 168.3 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.77 177.96 9.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -140.05 106.99 5.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -61.66 142.92 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -59.81 -17.2 34.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.569 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -89.76 26.13 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.583 0.23 . . . . 0.0 111.294 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.79 52.7 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.587 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 38.7 m-20 -132.0 157.08 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -132.1 109.95 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -124.64 137.18 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.85 141.17 8.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -105.32 130.81 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.0 145.16 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.2 110.77 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.92 163.42 15.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.43 138.2 29.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -102.97 156.19 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 119.93 39.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.12 -177.41 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -78.38 -34.66 48.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -109.09 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -175.59 78.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.66 77.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -60.67 105.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.58 124.96 91.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.747 ' O ' HD13 ' A' ' 85' ' ' ILE . 73.0 Cg_endo -76.1 137.38 19.28 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.165 . . . . 0.0 112.309 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 84' ' ' PRO . 22.3 mm -141.38 134.69 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.81 151.46 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.38 8.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 1.7 t80 -105.48 149.25 26.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.67 147.2 18.72 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -139.09 125.39 20.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 129' ' ' LEU . 5.8 mt-10 -133.9 153.05 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.35 135.16 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 140.75 48.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.95 141.2 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.1 136.92 28.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.78 -73.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.55 2.167 . . . . 0.0 112.261 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.2 tt -173.9 36.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.82 30.8 20.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.54 -34.23 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -103.28 -22.85 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 66.07 30.9 9.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.03 126.85 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.78 129.13 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 104' ' ' LEU . 9.2 tt -123.04 119.94 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.86 162.41 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -145.33 126.09 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -165.3 -160.22 12.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 4.0 m-85 -134.9 151.43 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 109' ' ' THR . 9.5 t -118.27 117.94 30.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.18 120.51 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.23 -169.53 16.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.06 137.85 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 HD23 ' A' ' 123' ' ' LEU . 1.3 t -135.68 156.62 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.16 140.16 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -85.95 166.21 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -59.79 112.99 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.6 m95 60.57 -176.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -173.35 105.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.659 ' CD2' HG23 ' A' ' 121' ' ' ILE . 2.5 p90 -153.74 -46.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.659 HG23 ' CD2' ' A' ' 120' ' ' TYR . 2.6 pt -97.92 143.15 25.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.17 153.17 40.81 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 113' ' ' THR . 3.5 tp -116.69 88.59 25.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.83 136.12 34.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.582 2.188 . . . . 0.0 112.313 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.3 m -138.49 125.16 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -130.04 117.44 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 mt -144.28 140.09 16.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.674 ' C ' HD13 ' A' ' 129' ' ' LEU . 74.5 Cg_endo -75.05 157.94 42.28 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.487 2.125 . . . . 0.0 112.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.674 HD13 ' C ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -157.71 177.55 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.41 129.38 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.0 p -99.67 118.73 36.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.5 m -128.07 118.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.52 -160.38 33.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -146.0 144.48 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.59 -143.7 41.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.0 -20.36 44.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.555 2.17 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 t -90.6 110.94 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 140' ' ' GLN . 25.2 m -137.81 128.95 27.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.13 126.85 35.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.401 ' OE1' HG22 ' A' ' 138' ' ' THR . 0.5 OUTLIER -107.64 134.17 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.27 118.24 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.17 123.57 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -114.9 133.45 55.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 15.3 tt -106.32 136.03 19.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 169.98 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.453 2.102 . . . . 0.0 112.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.49 -152.92 7.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.13 -45.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 153.05 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.29 -33.76 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -80.57 140.5 35.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.01 5.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.72 132.9 37.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.39 107.8 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -100.77 134.75 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.96 142.46 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -108.14 145.42 34.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -148.26 126.45 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.39 126.96 41.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -117.62 123.17 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -125.34 131.36 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.17 134.17 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.64 133.42 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.657 0.265 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.19 -49.48 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -25.83 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.567 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.66 90.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.31 -31.02 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -68.37 -31.28 70.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.44 -37.49 87.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -73.42 -32.02 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -32.77 47.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -74.18 -40.21 62.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 15' ' ' ALA . 19.3 tt -68.5 -44.29 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.57 -41.54 98.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -53.27 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 14' ' ' ILE . 9.4 t -60.58 -31.4 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -31.45 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.6 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.786 0.244 . . . . 0.0 112.236 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.06 -31.81 44.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -116.14 128.15 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -111.04 115.14 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.477 ' C ' HD12 ' A' ' 26' ' ' LEU . 68.9 m-20 -103.9 162.21 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 25' ' ' ASP . 3.9 mp -147.41 114.77 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.36 130.15 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.1 pt -134.21 133.09 21.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.34 -174.26 2.13 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.534 2.156 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.7 m95 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.7 92.52 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.68 171.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.15 33.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -115.45 173.95 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.33 156.98 24.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -145.71 177.98 8.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.807 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.3 p -172.26 154.05 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -131.44 179.12 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.67 132.62 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.25 122.64 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -18.67 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 26.15 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.289 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.58 42.51 95.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -132.11 157.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -111.91 100.47 8.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 142.47 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.35 141.42 12.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 tt -154.02 114.05 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.77 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.542 ' OH ' HG21 ' A' ' 109' ' ' THR . 43.6 p90 -136.5 162.69 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.24 129.99 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.1 mtt -128.18 177.06 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.06 138.01 29.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -106.12 141.29 37.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -84.94 145.38 27.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.86 -173.74 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -31.92 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 -69.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -166.84 92.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -169.24 124.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -114.94 131.24 56.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -120.77 124.99 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.98 159.69 41.12 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.398 2.066 . . . . 0.0 112.392 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 113' ' ' THR . 26.9 pt -144.32 135.14 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -99.77 146.76 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.94 135.98 5.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -145.41 140.68 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.4 22.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -129.89 144.1 51.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.57 148.07 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -99.79 140.78 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.95 147.97 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.39 117.32 6.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -125.11 148.85 61.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -29.19 21.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.567 2.178 . . . . 0.0 112.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tp -162.15 36.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.63 70.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.93 162.93 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -109.02 -28.8 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -58.98 -61.92 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -114.54 132.73 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -144.03 162.14 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.699 ' HB3' HG23 ' A' ' 132' ' ' VAL . 3.4 pp -152.1 144.78 24.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -159.87 -178.54 33.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.03 157.09 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.7 -164.45 35.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.93 157.85 19.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.542 HG21 ' OH ' ' A' ' 71' ' ' TYR . 20.0 m -138.94 132.1 29.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.02 113.97 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.62 129.97 10.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.567 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 86' ' ' ALA . 15.5 m -115.97 126.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.541 HG22 HG22 ' A' ' 85' ' ' ILE . 42.5 p -130.7 128.46 40.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -106.69 135.37 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -112.22 95.29 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.62 92.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.21 -51.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -130.77 -61.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -127.38 -178.38 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -100.48 94.86 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.17 92.99 37.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.31 154.06 15.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.529 2.152 . . . . 0.0 112.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.64 89.26 27.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.97 145.02 44.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.57 2.18 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -147.09 120.98 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.13 123.27 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 mp -146.23 140.96 15.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.663 ' C ' HD13 ' A' ' 129' ' ' LEU . 87.6 Cg_endo -83.39 149.52 13.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.619 2.213 . . . . 0.0 112.493 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -158.52 179.23 9.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.69 175.34 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -160.04 118.03 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 104' ' ' LEU . 9.3 p -143.99 133.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.81 -166.08 35.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -145.9 147.07 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.93 -150.95 35.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.13 -7.49 21.09 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.581 2.187 . . . . 0.0 112.603 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 137' ' ' VAL . 11.9 p -107.01 116.43 50.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.694 HG23 ' HB3' ' A' ' 159' ' ' ARG . 1.5 t -138.01 147.27 44.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -108.91 143.42 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -122.67 125.21 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 80.7 mmm -106.44 156.18 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 142' ' ' THR . 9.7 t -141.01 120.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -100.25 155.86 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.4 tp -99.28 134.08 21.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.422 ' HD2' HD12 ' A' ' 144' ' ' ILE . 55.5 Cg_endo -70.03 135.32 29.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.272 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.84 128.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 147' ' ' THR . 5.6 t -143.65 79.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 148' ' ' TYR . 43.8 p90 -69.54 123.01 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.6 m120 68.24 -68.29 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -171.42 -175.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.26 28.42 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.543 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.63 103.94 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.2 m -94.9 130.66 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.88 136.27 48.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.72 161.0 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -136.58 138.11 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -129.38 151.77 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 7.4 mmt -93.28 135.53 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.694 ' HB3' HG23 ' A' ' 138' ' ' THR . 0.7 OUTLIER -131.81 141.26 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.36 134.46 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.33 119.79 40.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.01 178.58 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.765 0.317 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -57.03 4.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.995 0.426 . . . . 0.0 110.579 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -25.84 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -45.47 57.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mmm -61.69 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.3 p -59.82 -38.57 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -77.99 -31.4 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -35.47 80.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -59.63 -32.71 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -31.28 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -76.64 -44.94 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.8 mm -67.59 -39.05 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.3 -49.32 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.5 p -72.94 -31.44 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -60.94 -32.08 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.816 0.257 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.21 32.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.41 106.59 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -103.98 139.73 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -138.97 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 28' ' ' ILE . 3.4 m-85 -99.29 125.83 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 27' ' ' TYR . 16.3 pt -158.61 147.77 14.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.47 -173.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.4 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.56 -141.98 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.21 -177.89 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.49 153.05 21.12 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.55 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -145.65 142.06 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.14 -163.52 24.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -127.33 177.95 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -155.95 169.13 25.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -132.51 154.04 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -136.13 132.12 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.19 141.4 50.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.35 -18.5 28.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.433 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -89.9 25.99 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.79 47.49 75.27 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.545 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.22 96.91 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -103.63 92.94 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -68.86 143.09 54.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.92 119.41 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.559 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 mt -144.68 114.1 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -151.8 164.88 36.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.93 120.08 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.07 168.63 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.09 137.93 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.85 135.17 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 145.63 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.27 -176.01 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 p -83.55 -28.03 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -138.63 -46.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.782 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -108.11 178.21 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -60.17 107.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.83 124.9 85.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.08 142.52 13.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.554 2.17 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.92 117.03 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.622 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -100.62 148.24 25.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.184 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.97 3.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -156.83 152.5 26.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.42 -173.48 39.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 92' ' ' SER . 12.4 t90 -98.16 144.1 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -136.11 135.57 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 87.6 p -134.23 130.89 37.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -119.82 147.65 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -122.3 159.02 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 150.2 43.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.16 -44.78 1.06 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.612 2.208 . . . . 0.0 112.238 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -176.71 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.06 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.33 28.74 13.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.72 75.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -175.22 -77.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -99.02 138.07 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -114.17 116.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -137.37 122.11 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.7 -172.91 38.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mt -132.8 170.99 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.05 146.88 8.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.7 142.29 27.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.46 132.44 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.95 114.04 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.671 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.5 134.62 11.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.0 m -128.23 126.79 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.7 p -109.11 116.78 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -107.13 142.64 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -121.56 -176.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -142.21 33.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -69.58 -64.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -126.54 -51.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -135.77 155.52 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.22 101.91 5.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.3 mt -131.66 92.91 29.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.36 143.52 53.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.455 2.103 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.35 88.05 3.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 112' ' ' VAL . 57.2 Cg_endo -70.87 153.36 63.89 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 111' ' ' GLY . 6.0 m -154.01 130.46 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 127' ' ' LEU . 4.6 mt -99.59 125.63 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.7 mp -147.99 144.08 18.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.01 149.23 41.38 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 ' NE2' ' A' ' 140' ' ' GLN . 7.4 tt -152.92 149.99 28.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.59 165.68 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -140.77 118.59 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.7 m -143.82 122.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.23 -163.94 33.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.611 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.8 139.7 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.84 -141.0 45.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.69 -23.22 42.65 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.493 2.129 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.54 110.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.3 m -130.75 112.88 13.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.644 ' CZ ' ' HB1' ' A' ' 156' ' ' ALA . 7.4 t80 -85.13 122.49 29.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.537 ' NE2' HD11 ' A' ' 129' ' ' LEU . 7.8 pt20 -110.78 158.23 18.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 25.7 mtt -129.63 122.53 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.9 m -101.03 129.94 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.09 133.2 51.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 tp -93.43 133.62 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.91 153.28 58.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.425 2.083 . . . . 0.0 112.221 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.58 98.95 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.78 86.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 -67.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -108.93 144.45 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.3 -172.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.02 30.45 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -110.34 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.59 142.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.79 134.44 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -105.71 133.12 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.644 ' HB1' ' CZ ' ' A' ' 139' ' ' PHE . . . -102.53 158.89 15.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -154.8 158.22 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 3.6 ttt -111.64 132.67 54.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -110.46 137.74 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.59 121.6 36.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -111.38 153.26 26.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.748 0.309 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.13 -57.05 4.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.87 -25.84 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -64.36 -42.71 96.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -63.3 -46.39 86.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.3 p -60.41 -48.8 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -60.53 -40.95 93.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.24 -33.22 69.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -62.11 -35.22 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.25 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -76.49 -53.45 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 11' ' ' ARG . 2.9 tt -59.95 -35.2 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.82 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.62 -37.12 76.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -74.05 -37.96 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -60.47 -53.96 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.799 0.249 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -139.12 -72.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -130.53 142.63 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.69 113.18 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -103.73 129.06 51.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.937 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -107.25 124.21 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CD2' ' HE2' ' A' ' 73' ' ' MET . 0.2 OUTLIER -100.06 113.28 25.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.937 HD11 HD23 ' A' ' 26' ' ' LEU . 32.1 mt -138.23 135.63 18.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.59 179.73 4.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.395 2.063 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.867 0.365 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.15 -131.13 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.15 -175.84 45.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.584 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.7 -176.0 37.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -151.26 173.75 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.74 44.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.2 155.94 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.2 m -128.59 144.76 51.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.24 155.93 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -112.69 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.95 -22.86 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.399 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -70.82 -24.97 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.77 41.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -132.01 156.07 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.13 96.89 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -68.12 134.48 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.52 111.66 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.422 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -130.11 121.04 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 27' ' ' TYR . 2.4 p90 -156.42 159.62 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.22 127.01 51.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.465 ' HE2' ' CD2' ' A' ' 27' ' ' TYR . 1.9 ttm -118.95 144.68 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . . . -120.3 138.04 53.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 85' ' ' ILE . 55.0 p90 -103.84 141.46 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 119.32 24.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 -23.59 27.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.261 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -147.81 -51.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -65.31 -176.4 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.802 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -72.34 176.87 4.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -86.82 145.51 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.1 tt0 -101.66 125.24 37.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.454 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 17.3 Cg_exo -66.71 160.69 45.17 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.414 2.076 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.558 HD11 ' CD2' ' A' ' 75' ' ' PHE . 31.1 mt -147.03 151.93 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.731 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -104.8 147.32 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.18 137.65 6.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.9 p90 -152.47 134.77 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -173.39 33.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -135.99 148.6 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -142.56 152.96 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.9 m -85.6 141.08 30.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -117.63 143.53 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HB3' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ppt_? -128.85 101.91 19.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.29 178.21 3.87 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.433 2.089 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 97' ' ' LEU . 4.2 mp -91.62 89.34 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.11 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -127.2 165.94 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.87 -32.39 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -63.29 -55.45 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.78 129.39 39.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 95' ' ' ARG . 8.7 m-70 -143.91 149.2 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.767 ' HA ' HG12 ' A' ' 132' ' ' VAL . 5.6 mp -140.35 121.32 14.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.47 160.12 25.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -141.5 153.34 44.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.91 -159.98 22.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -122.05 150.92 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.559 HG21 HD13 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -131.93 139.42 48.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.646 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -123.31 152.12 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.62 160.08 27.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.731 HG23 ' HB3' ' A' ' 86' ' ' ALA . 9.6 m -148.0 117.05 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.44 113.5 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.59 159.07 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -177.97 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -118.12 -44.39 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -129.89 30.43 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m0 59.34 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -144.79 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -118.72 146.96 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.97 156.61 90.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.07 140.07 80.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.642 2.228 . . . . 0.0 112.121 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 tp -105.77 89.04 3.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 156.14 58.94 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.528 2.152 . . . . 0.0 112.252 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.74 144.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 110' ' ' ALA . 5.2 mt -143.22 114.98 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.8 155.36 44.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.95 147.0 54.3 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.65 HD21 ' HG3' ' A' ' 140' ' ' GLN . 9.5 tt -143.08 147.8 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.15 143.19 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.6 p -127.4 114.03 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 104' ' ' LEU . 21.5 m -139.82 131.29 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 157.67 -154.45 25.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.572 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -79.61 147.23 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -47.85 -61.2 4.95 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.967 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 27.3 Cg_endo -62.47 -30.04 79.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.541 2.161 . . . . 0.0 112.311 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 137' ' ' VAL . 9.7 p -137.95 110.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.4 p -116.67 147.97 41.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -89.89 133.65 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.731 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.65 ' HG3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -105.01 130.67 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.4 mmm -125.91 118.21 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -99.63 131.22 45.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 144' ' ' ILE . 53.5 t80 -132.88 159.05 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -139.37 147.09 51.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 170.1 19.33 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -148.69 -164.88 11.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.589 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.8 -33.74 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.5 -55.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.73 114.73 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.94 -35.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.38 24.57 53.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 t30 57.42 39.07 28.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 153' ' ' VAL . 11.6 p -73.02 112.15 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -138.02 142.98 40.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.27 145.96 40.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.64 161.31 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.07 169.65 17.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 13.1 mtt -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -133.93 124.91 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -103.37 147.08 27.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -123.17 134.39 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.13 133.8 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.819 0.342 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 8' ' ' THR . 2.7 t0 -77.04 -57.04 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.94 -25.94 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.89 -39.62 72.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mmt -77.88 -33.8 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 4' ' ' ASP . 59.1 p -59.98 -30.13 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -58.73 -31.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -67.61 -50.11 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -32.68 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.07 -32.57 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -72.08 -39.77 68.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -74.2 -40.71 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.09 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -50.85 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -60.55 -35.45 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -69.45 -53.82 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.802 0.251 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -103.87 -31.88 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.45 150.07 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -128.88 137.86 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -120.62 165.5 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HD11 ' A' ' 28' ' ' ILE . 11.3 tp -139.67 132.35 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -112.47 113.16 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 26' ' ' LEU . 4.3 mt -126.44 135.93 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.0 Cg_endo -70.31 143.25 47.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.447 2.098 . . . . 0.0 112.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' ' SD ' ' A' ' 158' ' ' MET . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.16 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.9 -174.74 46.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.592 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -146.23 6.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -125.05 173.96 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 71' ' ' TYR . . . -145.14 142.6 10.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.93 178.06 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -170.11 168.06 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -131.92 169.5 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -105.76 153.53 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -142.48 123.18 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.74 -20.12 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.519 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -89.8 26.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 111.442 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.35 43.4 96.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.448 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -132.1 157.05 45.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -143.76 125.31 14.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.92 141.9 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.09 116.53 3.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.599 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.2 141.02 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.47 ' HB3' ' HE3' ' A' ' 73' ' ' MET . 11.5 m-85 -145.31 151.62 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.3 109.99 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.47 ' HE3' ' HB3' ' A' ' 71' ' ' TYR . 1.8 mtt -120.16 178.08 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.3 138.0 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -131.76 153.78 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.95 139.17 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.03 -169.6 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -28.65 65.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -97.92 28.82 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 56.04 30.53 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.33 111.83 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -69.24 116.42 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -102.4 124.95 37.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.83 162.58 37.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.2 119.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.511 ' N ' HD13 ' A' ' 85' ' ' ILE . . . -94.73 134.86 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.22 136.04 8.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.95 152.97 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.53 -162.81 31.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.47 149.26 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -137.47 138.2 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -135.6 105.23 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.4 p -92.09 140.17 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -134.3 128.24 33.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -137.12 142.86 39.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.1 -174.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.459 2.106 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.63 51.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.36 33.11 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.42 -52.8 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.55 -30.58 12.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 62.61 37.97 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.82 130.08 46.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.03 121.73 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.2 tt -150.43 120.04 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.13 177.07 31.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 137.93 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.08 151.74 22.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -101.73 140.93 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.04 121.53 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.406 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -101.42 114.07 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.85 15.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.06 123.54 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 m -116.13 138.11 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -146.84 127.62 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -117.71 137.69 52.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.27 161.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -106.51 -28.68 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.995 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -49.39 76.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -79.1 -54.52 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.422 ' O ' HD13 ' A' ' 121' ' ' ILE . 14.0 t80 59.52 84.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 120' ' ' TYR . 24.5 mm -128.67 92.8 39.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.39 148.68 70.18 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.49 2.127 . . . . 0.0 112.245 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.07 75.97 78.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.42 134.71 12.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.1 m -154.01 128.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.194 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -93.35 125.71 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 144' ' ' ILE . 0.1 OUTLIER -129.2 99.82 21.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.08 134.34 19.36 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.525 2.15 . . . . 0.0 112.344 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 142' ' ' THR . 1.7 pp -141.9 161.77 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.72 127.8 42.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 117.71 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 104' ' ' LEU . 13.3 m -143.97 125.88 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.63 -162.36 31.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -146.02 146.13 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.08 -149.93 29.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.62 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.58 -11.13 29.29 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.625 2.217 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 137' ' ' VAL . 35.3 m -101.69 121.34 52.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 148.02 44.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -129.54 130.74 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.99 143.26 33.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.2 mtp -111.9 121.44 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 129' ' ' LEU . 14.7 p -99.72 143.2 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -116.57 121.26 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.452 HD11 ' HE2' ' A' ' 155' ' ' PHE . 1.8 pt -140.87 99.9 6.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 163.83 37.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.25 -159.13 8.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.8 m -91.64 79.74 5.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.84 177.03 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.63 -50.17 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -90.1 -68.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.86 36.72 65.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.14 35.89 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -78.06 131.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -129.07 137.08 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.452 ' HE2' HD11 ' A' ' 144' ' ' ILE . 87.3 m-85 -113.09 148.72 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.5 148.89 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -130.91 161.31 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -95.37 128.97 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -130.81 119.45 22.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 120.86 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.11 121.6 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -133.51 155.25 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.676 0.274 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -57.05 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.642 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.52 -25.89 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.722 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -77.64 -30.82 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -46.27 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.3 p -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -60.1 -44.66 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.449 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' ILE . 2.4 ttt180 -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -44.22 77.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.6 -54.57 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 10' ' ' PHE . 17.4 tt -59.83 -34.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . . . -65.03 -55.07 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.51 -31.55 70.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -73.37 -48.11 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -44.17 97.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.85 0.271 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.91 136.88 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -103.8 140.18 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 52.9 m-85 -75.12 111.44 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.08 144.66 30.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 55' ' ' GLY . 61.6 tp -125.81 141.02 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -127.84 115.38 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.06 158.41 67.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.88 159.57 3.62 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.59 2.193 . . . . 0.0 112.28 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.72 -157.3 42.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.37 -175.6 45.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -109.38 136.35 13.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -152.05 136.93 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.19 -156.09 9.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.26 178.01 7.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 p -141.07 168.2 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -151.87 160.61 43.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -104.66 139.03 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.45 123.7 49.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.69 -18.78 45.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -92.78 26.11 2.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.258 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.98 48.49 47.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.04 156.22 46.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.84 98.82 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -71.79 132.91 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.55 109.99 0.73 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 88' ' ' TYR . 0.8 OUTLIER -103.67 124.32 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.1 p90 -119.08 123.41 44.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 110.03 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 3.5 mtt -105.0 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.7 150.17 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.73 127.86 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HD2' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -90.6 96.93 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -69.94 151.81 45.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 p -59.44 -21.47 60.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -68.47 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.75 -76.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -82.26 154.22 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HD2' ' A' ' 76' ' ' LYS . 37.8 p90 -93.19 156.53 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.12 124.85 34.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 170.6 12.99 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.603 2.202 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' ILE . 2.6 tt -156.0 118.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.01 144.89 25.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -140.74 136.02 7.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.597 ' CE2' HD11 ' A' ' 70' ' ' LEU . 12.2 m-85 -135.61 113.95 11.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.18 166.86 24.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -135.39 128.69 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -138.74 153.01 48.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -106.79 126.62 52.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 p -110.7 140.58 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -124.27 135.29 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 155.15 45.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 162.37 42.25 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.482 2.122 . . . . 0.0 112.284 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.439 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.71 71.99 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.05 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.66 149.13 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -97.93 37.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -96.0 -57.87 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.69 132.27 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -136.64 137.68 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 132' ' ' VAL . 8.6 tt -145.05 119.87 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.02 170.39 33.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.58 163.07 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.75 37.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -115.8 142.97 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.418 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 31.1 p -117.04 110.98 18.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.23 119.83 36.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -126.42 178.75 16.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.51 147.9 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -119.88 128.61 53.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -139.95 131.66 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -67.87 170.19 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -105.14 -31.92 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.77 118.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' HD12 ' A' ' 121' ' ' ILE . 0.0 OUTLIER -141.79 -72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 120' ' ' TYR . 2.7 mp -126.59 92.97 43.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.62 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.595 2.197 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.6 tp -128.01 88.75 52.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.42 153.24 70.74 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.588 2.192 . . . . 0.0 112.286 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.2 122.72 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.34 125.93 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.6 mt -148.03 149.09 31.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.46 141.22 41.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.587 2.191 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.9 149.02 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.8 -179.59 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -164.32 120.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.53 HG21 HD12 ' A' ' 104' ' ' LEU . 12.1 p -142.84 134.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.02 34.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 134' ' ' TYR . 2.7 p90 -145.9 146.54 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.24 -146.08 37.2 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 -17.43 43.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.517 2.145 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.26 111.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 m -138.0 123.9 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -91.93 121.44 33.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.34 140.58 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.9 129.29 55.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -113.78 130.02 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.53 122.71 48.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.37 135.76 28.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.17 133.82 18.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.148 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.03 -108.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.9 m -127.62 -45.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -164.91 32.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -161.48 111.91 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -108.94 172.76 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.37 35.73 8.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -160.87 -49.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 153' ' ' VAL . 35.6 m -72.97 123.01 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -138.0 138.14 38.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.08 150.19 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -125.75 168.02 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -160.77 139.04 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.91 136.73 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.04 139.15 54.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -140.79 127.81 20.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -104.8 116.37 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -136.54 178.41 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 163' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.725 0.298 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.567 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.21 -25.88 66.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -74.23 -30.31 62.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -31.82 63.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -59.83 -52.89 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -60.29 -31.21 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -68.01 -45.79 73.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -45.45 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -66.92 -35.61 80.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.81 -30.97 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.61 58.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.2 96.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 13' ' ' ASN . 54.0 p -60.04 -54.05 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.93 -31.58 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.895 0.289 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.8 176.83 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.15 160.82 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -103.04 106.89 17.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -81.09 124.51 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 160' ' ' PHE . 0.4 OUTLIER -116.69 143.11 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 96.9 m-85 -131.97 113.44 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.29 144.77 33.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.2 -168.07 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.483 2.122 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.78 164.1 10.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.08 -157.56 20.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.9 143.44 14.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -152.02 132.26 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -175.46 -171.04 39.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.7 mp -131.07 177.95 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.821 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 p -132.89 158.86 41.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -125.83 147.48 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 48.1 p-90 -106.97 131.13 54.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.28 115.51 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.08 -22.84 30.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -70.8 -23.27 62.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -132.07 157.04 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 53.8 t-105 -134.58 97.0 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -67.93 126.03 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.75 109.92 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.32 114.7 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.761 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -130.26 142.97 50.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 109.88 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.63 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.2 mpp? -94.53 175.58 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.03 138.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 83' ' ' GLU . 3.2 p90 -124.99 140.06 53.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.97 123.57 39.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.42 148.07 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -64.86 -19.78 66.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -151.1 35.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -157.33 -163.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -82.32 -176.49 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -102.36 137.34 40.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.9 mm-40 -95.08 125.0 52.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 85' ' ' ILE . 85.0 Cg_endo -82.29 156.3 16.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.593 2.196 . . . . 0.0 112.42 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 73' ' ' MET . 10.3 pt -156.12 122.73 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.0 153.99 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.203 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.68 136.03 4.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.409 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.03 -166.2 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.545 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -117.34 131.95 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -130.63 150.91 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -106.6 130.52 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 t -89.45 145.21 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 107.98 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -111.57 120.86 41.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.07 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.25 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.2 -50.11 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.11 88.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -146.47 50.1 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 60.99 31.73 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.4 t30 60.2 79.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 0.2 OUTLIER -90.66 141.98 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.06 122.89 48.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.842 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -122.82 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.76 142.6 11.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.3 tp -157.48 125.06 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.423 ' O ' HD13 ' A' ' 129' ' ' LEU . . . -175.62 -162.55 26.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.6 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.88 160.4 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 m -137.53 133.71 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.83 139.46 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.07 -141.16 3.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.8 m -131.82 136.04 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 t -134.17 149.29 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.13 118.94 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -153.23 93.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.52 -178.45 4.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -114.11 104.61 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.23 33.48 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.09 110.5 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 81.96 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.9 tt -136.05 92.89 15.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.82 122.54 10.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.6 OUTLIER -103.81 140.28 20.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.4 ' HD2' HD23 ' A' ' 123' ' ' LEU . 60.3 Cg_endo -72.6 134.59 22.52 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.367 2.044 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.23 137.36 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 126' ' ' LEU . 9.4 tt -135.61 120.35 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.679 HD22 HG22 ' A' ' 144' ' ' ILE . 1.4 pp -145.65 147.65 33.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.34 158.09 52.16 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.56 2.174 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.568 ' C ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.06 171.83 16.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.567 ' N ' HD22 ' A' ' 129' ' ' LEU . . . -170.44 153.3 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.3 t -140.95 123.19 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.842 HG12 ' HG ' ' A' ' 104' ' ' LEU . 15.6 m -132.77 134.84 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . 168.16 -157.12 29.17 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.81 145.37 36.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 56.87 -147.58 33.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.94 -15.53 40.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.49 111.02 25.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 m -138.14 129.05 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -82.22 120.2 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 117.9 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 12.6 ptm -111.09 125.75 54.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 127' ' ' LEU . 26.7 m -117.94 146.03 44.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' TYR . . . . . 0.558 ' CZ ' HG23 ' A' ' 153' ' ' VAL . 2.4 t80 -121.75 132.48 54.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.679 HG22 HD22 ' A' ' 127' ' ' LEU . 1.7 pt -119.07 99.91 50.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.99 167.66 25.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.443 2.095 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 142.41 -85.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.0 165.31 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -60.24 -67.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 60.21 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -108.14 35.4 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.42 36.74 89.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -136.36 44.58 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 143' ' ' TYR . 5.4 m -121.03 102.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.03 137.2 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -110.74 122.04 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.97 156.89 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.87 136.95 11.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.76 119.77 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 39.2 ttt180 -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' PHE . . . . . 0.44 ' HB3' HD11 ' A' ' 26' ' ' LEU . 11.3 t80 -130.44 147.0 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -96.77 133.46 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.23 161.1 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.07 -57.08 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.12 -25.94 65.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.715 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -70.05 -49.63 49.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -35.07 74.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -60.13 -31.76 70.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -77.11 -38.0 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 14' ' ' ILE . 28.3 m-85 -75.06 -36.74 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.45 97.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.16 -35.13 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.36 -50.29 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 10' ' ' PHE . 8.3 tp -66.48 -37.89 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.4 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -73.52 -58.38 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -35.12 74.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -74.13 -30.73 62.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' HD21 ' A' ' 58' ' ' LEU . 38.6 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.832 0.263 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -74.95 -31.66 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -145.29 160.95 40.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.85 113.94 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -118.8 150.29 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.56 134.62 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -111.01 119.55 39.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 pt -138.52 154.11 73.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.57 178.47 3.81 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.606 2.204 . . . . 0.0 112.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.772 0.32 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.96 -178.89 43.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.409 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.05 -178.36 37.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -145.94 161.77 28.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -152.02 142.82 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.42 -155.26 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 21' ' ' PRO . 5.6 mp -131.98 177.17 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -143.41 140.39 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -121.55 149.58 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -113.91 140.0 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -110.59 137.9 47.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.73 -20.15 32.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.392 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 26.08 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.696 0.284 . . . . 0.0 111.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.52 56.44 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.616 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -131.95 156.17 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 100.54 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -68.46 126.01 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.41 109.97 3.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.3 mp -123.9 119.89 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -152.95 158.56 42.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.95 109.89 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.683 ' HB2' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -93.44 168.97 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.3 138.06 13.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -107.97 107.0 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.93 97.03 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -108.61 147.29 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -30.18 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -110.15 36.34 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -156.12 -83.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.09 162.06 0.34 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -115.06 121.33 42.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -142.45 124.99 9.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.73 166.0 15.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.403 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 73' ' ' MET . 41.8 pt -156.12 140.08 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.0 140.79 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.38 165.34 29.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.638 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -144.27 152.98 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -161.18 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -142.95 150.01 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -107.38 119.4 39.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.4 p -98.59 141.17 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -151.99 144.78 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -100.51 142.69 25.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 45.3 Cg_exo -56.21 -165.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.477 2.118 . . . . 0.0 112.322 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.1 tt -112.31 31.07 6.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.87 -59.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.66 129.55 52.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.76 36.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 69.5 m-20 -127.42 -46.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -68.2 132.32 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -98.61 135.55 39.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 132' ' ' VAL . 1.6 mt -145.29 119.53 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.57 174.56 31.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.906 HD23 ' HB2' ' A' ' 130' ' ' ALA . 8.0 mt -144.85 156.29 43.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.48 -162.07 27.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.73 147.3 48.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.723 ' OG1' HD13 ' A' ' 129' ' ' LEU . 55.9 p -126.13 137.97 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 129.99 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.54 140.77 16.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 122' ' ' PRO . 29.2 t -118.87 124.43 73.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 m -115.06 134.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.32 145.81 24.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -134.78 135.92 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 60.23 175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -111.29 -37.85 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -71.9 -35.67 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -109.22 100.17 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -85.86 86.27 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.58 105.38 43.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HB2' HG13 ' A' ' 112' ' ' VAL . 41.4 Cg_endo -67.63 143.33 61.88 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.365 2.043 . . . . 0.0 112.245 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.77 86.07 2.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.1 128.97 13.56 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.592 2.195 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 125' ' ' VAL . 17.2 m -141.58 120.99 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 126' ' ' LEU . 4.3 pp -96.59 140.83 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 129' ' ' LEU . 1.7 mt -147.91 135.97 11.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 36.1 Cg_exo -60.87 139.56 85.73 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.408 2.072 . . . . 0.0 112.075 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.723 HD13 ' OG1' ' A' ' 109' ' ' THR . 1.8 mp -149.93 161.42 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.906 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -143.12 147.13 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.0 t -118.0 114.35 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.656 HG23 ' HG ' ' A' ' 104' ' ' LEU . 10.6 p -143.98 124.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.17 -163.7 27.3 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.572 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 101' ' ' ASN . 9.8 t80 -144.61 141.47 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.36 -142.59 42.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.87 -21.8 43.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.085 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.58 128.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.1 m -132.73 126.29 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -93.04 124.99 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -108.6 121.09 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 15.1 mtt -107.48 147.73 30.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 62.3 m -130.02 137.74 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -119.01 148.66 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 pt -107.63 141.82 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.51 170.04 21.16 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.502 2.135 . . . . 0.0 112.266 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.15 -177.33 29.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.6 t -90.25 109.76 20.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.11 31.2 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -97.2 83.0 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -139.98 109.22 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.59 28.02 13.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.09 -48.59 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.39 124.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.12 140.89 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.91 135.75 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -107.33 151.62 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -146.18 152.94 40.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.49 124.24 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -119.44 106.11 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.68 140.0 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.31 118.78 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -127.92 160.71 31.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.713 0.292 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -77.07 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.76 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' THR . 3.5 tt0 -70.49 -25.93 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.763 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -72.89 -31.81 64.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -48.14 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 5' ' ' GLU . 10.2 t -59.4 -41.32 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' GLU . 22.4 p -61.76 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -41.35 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -75.68 -38.24 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -61.63 -57.0 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -65.59 -33.82 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.08 -29.44 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -79.06 -30.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -70.78 -32.04 69.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -93.27 -46.49 7.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.835 0.265 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -99.44 -49.11 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 124.93 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -111.07 102.95 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.38 132.37 48.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 144.94 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 127.64 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.71 135.52 21.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.7 174.19 12.17 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.46 2.107 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.32 -157.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.46 161.86 34.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.96 149.96 18.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.81 134.51 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.11 -162.62 20.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.1 pt? -130.85 177.97 7.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -139.58 164.34 30.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.22 136.05 11.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -108.33 131.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -100.78 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -22.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -92.59 26.08 2.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.82 52.88 34.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.07 102.41 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -88.48 105.59 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.19 126.03 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.29 134.6 7.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.28 113.96 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -127.07 149.81 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.73 110.04 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 ttt -93.19 169.03 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.94 137.95 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -115.35 106.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -90.17 111.32 22.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.97 150.85 33.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -84.65 -17.02 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -52.87 -64.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -128.54 -76.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.57 169.24 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -72.41 151.06 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -115.06 124.93 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.38 147.4 22.81 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.472 2.114 . . . . 0.0 112.376 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' ILE . 1.4 tp -156.07 117.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.43 157.82 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.55 136.11 4.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -156.98 148.98 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.25 -168.93 35.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -107.75 149.89 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -140.94 145.27 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 p -121.56 103.69 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 93' ' ' THR . 9.9 t -77.97 119.06 20.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -113.28 153.82 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.61 137.86 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 -167.87 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.501 2.134 . . . . 0.0 112.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 138.04 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.54 31.15 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -168.9 122.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -106.44 -33.67 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -60.29 -31.19 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -82.67 132.68 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -121.23 138.32 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 104' ' ' LEU . 3.9 pp -150.44 122.98 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.31 -178.52 16.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.15 143.09 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -167.55 -174.93 37.03 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -114.16 146.97 39.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.84 114.45 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.44 121.18 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.446 ' O ' HG12 ' A' ' 125' ' ' VAL . . . -108.17 136.91 13.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.566 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.95 136.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.8 155.96 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.75 152.19 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -101.19 -179.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -79.91 -43.53 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.89 111.65 23.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -64.3 94.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -130.75 -48.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -105.8 168.46 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.9 pt -80.69 159.13 69.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.76 165.39 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.574 2.182 . . . . 0.0 112.254 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.01 86.39 53.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.03 156.6 55.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 111' ' ' GLY . 11.2 p -153.86 141.33 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.2 mt -93.64 134.68 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.8 99.87 4.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 141.86 42.32 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.556 2.17 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.749 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.0 pp -161.71 171.59 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.34 158.69 25.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -116.44 132.74 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.26 120.36 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.01 111.01 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.58 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.19 114.98 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.65 -150.89 30.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.13 -7.25 20.3 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.671 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 138' ' ' THR . 20.3 t -107.99 155.02 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.411 ' N ' HG12 ' A' ' 137' ' ' VAL . 2.7 p -136.28 138.3 41.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.71 145.97 47.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.481 ' CG ' HD13 ' A' ' 129' ' ' LEU . 32.8 tt0 -130.77 116.78 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mtt -104.62 135.94 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.749 HG23 ' HB3' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -103.55 146.03 29.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -129.86 134.66 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -124.34 110.78 28.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 145.46 58.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.388 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -106.25 45.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER 67.68 -69.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.424 ' CD1' ' HB ' ' A' ' 147' ' ' THR . 16.2 m-85 -105.93 29.27 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.63 88.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -175.28 138.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.93 90.66 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.583 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -64.28 167.81 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.87 132.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.17 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.06 150.34 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.81 134.96 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -143.34 140.07 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.4 ttm -96.94 146.61 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 144.92 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.84 122.72 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -100.93 119.34 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.02 152.56 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.1 -57.02 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.632 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.09 -25.99 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.681 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.58 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.79 -31.52 72.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -51.11 27.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -63.29 -33.14 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.66 -39.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -63.63 -31.6 72.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.56 -31.46 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -71.2 -52.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -36.37 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.54 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.92 -41.67 70.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -82.74 -30.92 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.67 -31.87 57.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.846 0.269 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -122.18 -52.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -77.94 128.3 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.476 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 5.8 m-85 -124.49 156.43 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.555 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.2 m-20 -121.21 142.89 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 25' ' ' ASP . 8.6 mp -131.68 126.41 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 126.32 52.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 tt -158.94 138.82 8.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.41 149.72 22.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.456 2.104 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.33 120.7 3.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.97 147.27 10.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.87 173.47 35.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -152.02 148.95 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.84 -174.29 28.35 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.476 HD21 ' CZ ' ' A' ' 24' ' ' TYR . 19.4 mt -128.97 163.03 26.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.18 165.94 28.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -145.51 147.08 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -86.84 137.72 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.3 129.29 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.84 -23.58 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.513 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.88 26.08 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.29 51.73 54.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -131.44 157.12 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -126.42 96.89 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 1.1 m-70 -106.38 141.65 37.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.57 160.35 24.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.95 155.88 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.54 142.47 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.66 115.26 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 177.66 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.99 140.76 40.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.25 150.09 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -112.55 140.29 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.41 175.15 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -79.53 -30.16 41.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.13 29.91 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.65 90.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -156.74 76.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.63 117.02 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.53 134.02 25.05 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.64 163.53 31.6 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.511 2.141 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.52 119.27 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.55 125.8 43.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.78 141.71 11.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -155.44 148.3 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.85 -159.29 21.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 41.0 p-90 -138.37 149.83 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -138.48 146.41 42.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.08 100.25 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -90.84 144.32 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -131.36 142.96 50.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 142.58 56.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.49 ' HD3' HD21 ' A' ' 104' ' ' LEU . 88.7 Cg_endo -82.89 7.35 5.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.723 2.282 . . . . 0.0 112.85 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER 64.89 157.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.475 ' H ' HD13 ' A' ' 97' ' ' LEU . . . 62.37 31.05 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -155.71 -58.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 59.87 37.17 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -146.11 -50.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.95 152.98 44.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.484 ' C ' HD23 ' A' ' 104' ' ' LEU . 12.2 p-80 -131.69 128.08 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -149.77 131.88 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -172.37 -163.26 25.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.36 170.97 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.49 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.37 144.94 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.814 HG22 HD22 ' A' ' 129' ' ' LEU . 9.7 t -131.68 147.01 52.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.99 122.66 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.785 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -108.17 119.49 5.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 122' ' ' PRO . 21.4 t -118.24 117.61 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 m -107.28 122.44 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -117.28 158.85 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -121.6 121.46 37.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.8 -29.04 32.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -57.8 -42.09 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -176.39 93.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -176.52 126.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -83.11 -60.49 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.2 135.74 19.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.768 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 71.8 Cg_endo -74.55 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.37 2.047 . . . . 0.0 112.384 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.9 mt -123.49 86.42 52.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.83 148.99 41.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.589 2.192 . . . . 0.0 112.354 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 111' ' ' GLY . 22.7 m -153.95 160.24 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mp -130.18 132.92 46.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.538 HD22 ' CG2' ' A' ' 144' ' ' ILE . 4.1 pp -148.02 147.48 26.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.22 158.01 52.71 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.534 2.156 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.814 HD22 HG22 ' A' ' 109' ' ' THR . 2.5 pt? -165.85 160.89 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.05 143.51 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 m -113.84 120.79 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 104' ' ' LEU . 11.4 m -141.7 130.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -161.92 175.19 38.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.571 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 137' ' ' VAL . 12.8 m-85 -135.4 115.0 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.67 -119.02 15.63 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.562 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.06 -37.31 2.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.548 2.165 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 134' ' ' TYR . 16.8 m -75.43 135.48 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.126 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 159' ' ' ARG . 18.1 m -138.04 148.01 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -130.53 141.67 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.03 121.93 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -114.62 125.37 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.9 p -115.41 144.87 43.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -111.66 113.21 25.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 155' ' ' PHE . 1.7 pt -125.8 99.9 31.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 137.88 33.96 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.506 2.138 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.82 -94.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.0 p -88.78 177.05 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -103.0 157.88 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -162.7 -63.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.17 35.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.14 34.75 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -174.99 149.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 153' ' ' VAL . 28.8 m -121.36 110.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -106.88 134.61 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 144' ' ' ILE . 49.2 m-85 -107.45 116.1 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.9 146.1 28.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -141.92 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 145.2 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 138' ' ' THR . 0.1 OUTLIER -152.01 151.03 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.14 147.05 48.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.86 124.95 50.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.49 144.88 25.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 8' ' ' THR . 71.0 m-20 -77.09 -57.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.602 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.89 -25.94 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -74.86 -40.48 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.5 mmt -76.36 -30.74 57.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 4' ' ' ASP . 17.4 p -59.17 -28.96 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 p -57.9 -34.79 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -45.4 41.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -35.18 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -39.18 84.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.36 -47.23 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.75 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.91 -36.79 72.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.85 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -81.86 -39.45 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.773 0.239 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -167.29 33.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -94.07 135.44 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.18 113.95 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -105.26 134.66 48.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.37 137.68 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 121.08 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 tt -140.69 126.62 11.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.85 121.67 8.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.2 -112.7 4.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.601 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.96 150.28 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.75 149.83 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.35 144.29 9.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -111.86 155.68 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.89 141.45 40.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -147.22 118.22 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.92 135.89 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 122.33 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.55 -21.83 18.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.393 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 26.12 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.234 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.17 52.13 38.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.56 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.03 154.68 49.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 115.44 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -110.12 132.63 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.12 127.34 3.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.17 153.69 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -126.91 118.05 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.05 110.06 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.679 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.4 tpp -114.01 163.63 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.1 138.19 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -130.15 153.03 48.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' CE2' ' A' ' 82' ' ' TRP . 10.0 tttp -98.45 102.87 14.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.15 156.85 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 t -70.43 -30.05 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -67.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -176.79 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.5 177.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 82' ' ' TRP . 6.4 m95 -112.89 147.59 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.53 124.83 65.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.88 150.17 20.82 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.157 . . . . 0.0 112.407 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 73' ' ' MET . 24.2 mt -141.93 116.99 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.03 157.93 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.95 162.21 27.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -143.13 133.83 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.31 169.4 24.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.642 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -131.84 149.07 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.28 153.06 41.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.4 m -103.71 132.25 50.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.47 134.6 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -151.93 139.08 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -120.51 101.89 45.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.39 -45.25 38.89 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.479 2.119 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.96 -179.23 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.94 41.48 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -107.69 -51.02 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.84 27.81 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 56.5 31.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.14 125.82 25.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -115.54 153.13 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 104' ' ' LEU . 10.1 tt -147.78 143.16 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.34 137.03 7.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -133.78 136.38 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.501 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 173.92 -166.54 38.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -126.02 159.59 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.5 p -132.85 146.98 52.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.11 113.95 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -102.63 124.25 8.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.504 HG12 ' CA ' ' A' ' 124' ' ' PRO . 17.7 m -115.98 131.39 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.1 p -135.48 154.01 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.79 159.01 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.79 -172.46 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -106.7 35.83 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -147.22 73.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 65.73 -76.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.95 -174.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.789 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.66 104.83 56.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.01 146.13 76.17 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.64 120.61 80.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.504 ' CA ' HG12 ' A' ' 112' ' ' VAL . 80.5 Cg_endo -78.01 166.0 25.49 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.132 . . . . 0.0 112.337 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.07 120.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tp -96.23 124.47 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.98 146.06 22.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.457 ' C ' HD12 ' A' ' 129' ' ' LEU . 59.6 Cg_endo -72.11 143.5 40.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.464 ' HG ' HG23 ' A' ' 142' ' ' THR . 3.5 mp -147.6 160.93 42.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -133.93 -176.57 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.4 p -170.32 157.55 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.94 123.38 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.02 113.13 4.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -129.63 114.92 16.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.14 -149.49 30.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.596 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.64 -10.84 27.27 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.609 2.206 . . . . 0.0 112.598 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.8 m -104.65 155.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.1 125.74 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.471 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -106.54 138.62 42.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.69 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.6 mtt -107.06 155.99 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' HG ' ' A' ' 129' ' ' LEU . 10.3 m -129.85 136.61 49.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.61 122.37 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.39 99.87 12.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.73 125.94 10.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.443 2.095 . . . . 0.0 112.325 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.12 172.12 41.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 t -105.42 77.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.15 -179.07 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -72.43 -34.84 68.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -106.64 -48.42 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.32 33.55 77.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.99 91.88 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.39 132.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -124.45 133.41 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.87 140.01 38.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.471 ' HB1' ' HE1' ' A' ' 139' ' ' PHE . . . -118.89 136.86 53.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 119.1 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.0 141.52 28.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 153.98 42.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.95 129.35 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.84 128.16 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.45 146.13 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.677 0.275 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.05 -57.09 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.76 -25.9 64.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.761 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -71.79 -30.19 65.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 tpt -59.37 -30.13 68.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 p -58.66 -36.06 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 m -75.52 -41.87 54.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -69.76 -31.04 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -56.12 -30.53 62.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -42.35 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.43 -41.88 84.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.85 -30.3 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.4 41.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.77 -44.86 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.9 m -59.44 -39.16 82.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.872 0.28 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -134.26 31.34 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -65.02 137.8 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -106.94 122.02 45.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -117.13 115.94 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tt -103.02 119.32 38.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -113.2 150.75 31.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.12 153.54 29.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.92 -168.15 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.159 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.95 171.73 4.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.558 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.2 141.41 3.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.16 -174.24 24.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -127.14 174.11 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.41 153.88 25.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.52 177.95 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -144.15 150.49 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -151.22 139.47 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -91.04 131.26 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -108.95 127.8 54.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.39 -22.22 11.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -91.22 26.09 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.255 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.45 51.28 53.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.5 m120 -131.99 157.01 45.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -131.01 90.14 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -70.39 137.21 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.72 131.73 6.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -88.36 142.55 27.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.684 ' N ' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -124.5 118.33 26.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.32 109.97 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.13 178.05 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.45 138.02 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 83' ' ' GLU . 16.8 p90 -113.15 122.23 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 140.41 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -120.01 169.19 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -71.16 -29.35 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -119.16 -42.06 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.39 119.34 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -53.95 140.96 29.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -59.95 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mm-40 -146.2 124.97 6.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.39 169.63 16.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.476 2.117 . . . . 0.0 112.417 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' ILE . 18.7 tt -155.91 123.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -123.65 144.36 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.24 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.34 177.17 43.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CE2' HD23 ' A' ' 70' ' ' LEU . 11.0 m-85 -119.31 151.49 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.03 157.61 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -114.52 147.27 39.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -146.94 152.97 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -129.21 114.1 15.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 p -81.61 143.77 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.88 154.35 50.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -97.13 144.74 28.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.03 -167.69 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.5 2.134 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -122.97 -43.83 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.79 42.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.58 156.63 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -116.75 -34.48 4.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.05 35.35 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -124.06 140.6 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -123.87 144.58 49.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.04 129.43 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -161.56 178.12 37.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -142.39 168.56 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.59 -173.34 44.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -130.16 137.44 50.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.598 ' OG1' HD21 ' A' ' 129' ' ' LEU . 59.8 m -112.51 130.08 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -113.75 114.04 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.13 143.98 15.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.22 127.56 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 m -103.68 113.93 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -128.84 122.62 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -69.83 151.59 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.69 -30.96 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 36.96 2.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -151.65 -177.91 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.86 -162.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.799 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 71.12 157.38 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.905 0.383 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.4 pp -71.89 153.48 92.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 121' ' ' ILE . 35.8 Cg_endo -65.1 -173.76 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.569 2.179 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 125' ' ' VAL . 7.8 tt -128.01 98.98 26.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.62 153.6 64.86 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.384 2.056 . . . . 0.0 112.224 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.437 HG13 HD23 ' A' ' 123' ' ' LEU . 10.5 m -153.97 129.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 5.6 mp -112.8 129.28 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 2.7 mt -138.18 125.14 13.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 39.2 Cg_exo -60.78 153.62 61.32 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.411 2.074 . . . . 0.0 112.188 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' OG1' ' A' ' 109' ' ' THR . 1.1 pt? -165.18 159.75 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.88 162.9 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.98 118.04 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.01 124.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.38 -167.98 41.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -145.93 146.96 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.23 -146.26 36.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.42 -17.35 44.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.3 113.61 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 127.83 34.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.42 130.71 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 115.98 28.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.9 mtt -101.34 126.53 48.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -117.23 140.05 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -109.49 159.05 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 144' ' ' ILE . 11.4 tt -134.15 100.0 13.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.27 139.61 53.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -139.01 111.6 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 148' ' ' TYR . 6.5 m -94.3 133.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 147' ' ' THR . 71.0 m-85 60.36 31.63 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -146.08 -169.99 3.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -167.14 160.21 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.97 29.25 4.4 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.96 115.34 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.5 m -107.71 129.95 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.76 137.59 55.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -106.01 119.61 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.71 133.01 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -129.2 144.21 51.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 23.1 mmm -92.73 147.88 22.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -137.8 135.71 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -117.92 146.94 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.26 140.47 36.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.99 118.65 14.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 163' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.637 0.256 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -56.99 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.6 -25.76 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.433 ' O ' HG22 ' A' ' 9' ' ' THR . 1.6 t-105 -76.29 -34.44 59.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 ttm -63.78 -38.5 91.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -43.05 92.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 6' ' ' TRP . 10.3 t -78.03 -31.42 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -74.98 -30.95 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -57.99 -35.11 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -78.89 -31.27 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -72.68 -48.19 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 10' ' ' PHE . 4.7 mt -63.35 -46.32 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -67.08 -47.28 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 m -64.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -46.31 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.792 0.247 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.31 82.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.574 ' HB3' HD23 ' A' ' 163' ' ' LEU . 29.0 p80 -151.93 152.91 33.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -84.17 143.34 29.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -122.89 126.49 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 132.89 55.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.44 113.55 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' CE ' ' A' ' 158' ' ' MET . 9.6 mt -129.73 136.02 28.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.51 101.16 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.431 2.087 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 8.4 m95 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 -81.98 1.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 -158.85 51.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.96 147.87 19.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.548 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 p90 -150.58 146.14 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.71 -144.97 5.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.73 169.08 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.71 140.9 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -109.39 147.6 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -113.43 144.67 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -124.94 130.67 52.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -56.28 -20.5 18.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.483 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -90.76 26.08 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.669 0.271 . . . . 0.0 111.287 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.59 54.25 27.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.584 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.12 114.76 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -104.89 97.7 7.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.97 148.9 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 121.66 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -132.04 123.57 27.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -152.98 132.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.97 118.35 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.94 143.33 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.22 139.01 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -105.99 108.91 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -83.09 135.99 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -92.63 -179.13 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.7 p -76.58 -31.18 57.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -112.79 -70.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -168.7 93.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.23 52.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -61.81 125.51 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -99.68 125.06 41.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.08 126.25 9.8 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.503 2.136 . . . . 0.0 112.318 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 86' ' ' ALA . 23.5 mt -149.67 154.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 85' ' ' ILE . . . -136.75 152.4 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.27 135.96 5.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.537 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -156.94 145.09 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.21 -172.9 32.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 22.0 m0 -101.1 149.99 23.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.41 131.55 30.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.54 111.3 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -95.47 142.55 27.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -123.42 126.79 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 2.5 ptt85 -124.47 101.82 33.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.626 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.0 Cg_exo -53.93 -49.31 17.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.457 2.104 . . . . 0.0 112.261 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 96' ' ' PRO . 5.9 mp -128.71 -50.72 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 95' ' ' ARG . . . 60.9 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.37 -57.09 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.09 -74.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -176.11 37.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -102.82 125.27 49.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -133.07 149.01 52.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.56 123.84 15.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.56 -159.48 9.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.84 160.2 35.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.7 -170.29 26.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 90' ' ' TRP . 17.4 p90 -142.1 123.25 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.513 HG23 HD11 ' A' ' 129' ' ' LEU . 26.0 p -103.12 131.7 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.63 116.51 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.09 150.64 19.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.65 130.96 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 123' ' ' LEU . 2.8 t -135.1 110.25 8.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -108.0 138.25 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 110.82 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.49 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.68 37.27 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -159.96 -45.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.673 ' HB3' HD12 ' A' ' 121' ' ' ILE . 15.0 m120 -93.86 -178.65 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -133.02 37.68 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 119' ' ' ASN . 3.2 mp -119.84 92.92 47.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 55.8 Cg_endo -70.29 -168.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.547 2.165 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 4.0 tp -123.26 88.15 51.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 150.5 49.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.64 2.227 . . . . 0.0 112.312 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.98 123.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.55 139.41 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.405 HD21 ' CG2' ' A' ' 142' ' ' THR . 6.0 tp -148.03 108.05 3.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.487 ' C ' HD13 ' A' ' 129' ' ' LEU . 95.7 Cg_endo -80.05 144.06 16.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.544 2.163 . . . . 0.0 112.635 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.36 -178.96 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -116.71 144.18 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -110.21 126.67 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.93 114.97 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.65 111.01 4.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.55 114.96 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.823 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.23 -150.65 40.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -3.32 13.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.691 2.261 . . . . 0.0 112.75 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 138' ' ' THR . 21.3 t -116.02 155.09 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 111.211 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -126.11 144.61 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.43 145.97 48.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -132.69 152.38 51.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.93 118.46 21.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.405 ' CG2' HD21 ' A' ' 127' ' ' LEU . 23.8 m -93.97 116.87 29.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -141.78 121.78 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.8 mt -104.82 99.98 21.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 134.29 27.41 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -145.39 168.48 27.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.4 t -116.2 118.21 32.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 60.38 33.29 20.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.74 -43.19 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 60.55 175.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.12 42.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -81.83 120.84 25.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.58 123.25 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.76 115.47 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.04 139.93 38.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.73 140.22 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -129.93 147.27 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 28' ' ' ILE . 1.7 ttp -110.88 138.38 47.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.5 144.0 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -127.98 146.89 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -124.75 131.01 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.39 119.2 38.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 23' ' ' HIS . 4.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.645 0.259 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.17 -49.92 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -79.72 -25.87 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -68.34 -32.45 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -77.92 -31.13 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 p -69.21 -42.1 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -34.76 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.97 -31.02 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -56.34 -31.2 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -36.95 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 17' ' ' THR . 44.3 m-20 -70.41 -45.36 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.3 pt -65.22 -35.97 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.98 -56.73 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -56.22 -48.0 77.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ASN . 73.2 p -62.83 -29.74 70.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -59.44 -55.19 37.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.921 0.3 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -110.02 -31.91 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' HD23 ' A' ' 58' ' ' LEU . 13.2 m-70 -152.44 179.98 8.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.43 143.31 50.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -136.0 163.37 30.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -134.77 133.95 40.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.77 114.37 22.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.33 151.75 72.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.19 149.93 20.73 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.562 2.175 . . . . 0.0 112.369 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.414 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.9 165.42 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.45 45.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' HD13 ' A' ' 26' ' ' LEU . . . -178.53 -175.7 45.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.69 174.04 11.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.46 163.78 29.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 70' ' ' LEU . 7.2 mt -128.96 178.01 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 151.46 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.78 169.85 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 67' ' ' TRP . 43.3 m95 -110.62 138.83 46.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -114.62 126.14 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.63 -21.83 11.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.45 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 26.05 2.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.265 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.59 65.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.399 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -132.02 157.09 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.318 . . . . 0.0 111.007 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 61' ' ' TRP . 24.2 m95 -118.58 98.63 6.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -68.03 142.94 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.51 125.09 2.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 58' ' ' LEU . 7.4 tt -89.83 150.42 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.561 ' N ' HD23 ' A' ' 70' ' ' LEU . 65.8 m-85 -139.99 120.85 14.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 110.01 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.3 mtt -117.34 162.34 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.12 137.94 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.11 157.07 35.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.38 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.58 151.04 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -79.09 -3.22 44.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -139.44 -47.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -83.8 -171.33 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -172.33 2.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -62.42 128.23 35.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -100.64 124.93 40.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.28 163.07 25.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.406 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -147.94 117.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -97.34 148.31 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.39 145.37 11.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.483 ' HE1' HD12 ' A' ' 70' ' ' LEU . 63.0 m-85 -156.89 116.19 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.41 169.03 25.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.622 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -121.56 121.78 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -111.57 153.02 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.44 121.36 44.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 t -74.08 145.32 44.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.91 107.91 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -109.36 146.9 34.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 179.52 5.32 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.473 2.115 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 tp -106.75 63.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.44 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -106.86 131.98 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.39 34.3 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -107.71 -51.54 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.43 118.95 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -106.18 134.48 49.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.98 135.42 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.6 130.97 5.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.4 OUTLIER -148.21 128.4 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 178.7 -159.94 25.4 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.562 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 126' ' ' LEU . 55.6 m-85 -113.79 162.82 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.3 m -139.28 118.07 12.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 114.07 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -124.84 156.9 18.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 86' ' ' ALA . 5.1 m -116.0 140.13 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 135.43 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.4 139.89 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -174.79 91.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.46 -174.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -92.75 -52.52 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -98.18 105.76 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.82 108.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -132.37 -69.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.45 139.2 34.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 177.97 8.07 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.541 2.161 . . . . 0.0 112.393 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -113.34 89.16 14.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.98 152.22 73.34 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 m -150.03 123.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -115.97 123.69 48.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 127' ' ' LEU . 2.1 mp -146.43 156.55 49.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.9 147.77 94.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.571 2.181 . . . . 0.0 112.154 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.33 148.21 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.64 133.75 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.9 p -117.11 150.4 38.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.3 118.81 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.03 114.14 4.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.89 114.96 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.52 -150.49 38.04 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.74 -5.99 17.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.645 2.23 . . . . 0.0 112.731 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.3 m -112.34 155.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.68 125.15 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.39 143.6 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.14 147.29 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 28.7 mtt -154.98 133.76 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.7 t -114.58 135.46 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.91 157.59 17.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 tp -100.64 133.01 21.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.2 132.25 20.68 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 145.7 146.65 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.476 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.14 33.73 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.44 167.47 2.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.63 118.69 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.4 170.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.95 28.51 56.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.25 149.72 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.73 129.45 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -111.82 138.31 48.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -104.07 133.65 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.75 168.02 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.97 162.31 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.3 mmt -110.41 138.44 46.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -129.44 152.35 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.54 141.76 46.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.26 118.22 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -105.1 124.67 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.722 0.296 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -76.95 -57.06 4.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.36 -26.0 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -78.98 -30.58 44.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -59.65 -39.97 86.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -30.89 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -68.98 -52.58 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -59.56 -30.54 68.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -45.44 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 3.0 m-80 -61.87 -41.14 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 10' ' ' PHE . 18.2 mt -73.14 -30.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.5 -55.09 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.82 -31.54 69.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 27.6 p -72.23 -30.02 64.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -75.22 -44.84 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.724 0.218 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 62.71 110.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -143.29 135.59 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -90.22 135.46 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.67 121.39 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.43 129.42 55.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -124.98 112.98 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -139.97 138.78 20.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.8 161.61 4.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.066 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.38 54.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.82 176.78 47.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.25 161.33 26.02 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -149.01 139.59 22.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.95 -164.79 30.81 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.13 178.04 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -154.49 170.76 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 138.05 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -103.83 136.05 44.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.5 120.69 42.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.36 -23.24 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -26.11 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 42.5 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -132.03 155.2 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -140.18 101.45 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -98.96 137.29 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.66 124.35 2.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.646 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 88' ' ' TYR . 4.9 tp -121.2 128.87 52.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.651 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 p90 -158.19 166.04 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . . . -108.6 109.91 21.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.7 ttt -99.21 171.97 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.636 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.53 137.96 4.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.368 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -128.21 106.9 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.482 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 82' ' ' TRP . 35.3 mttm -125.51 129.02 48.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.51 -169.29 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -86.8 -28.94 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.28 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -106.03 -159.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.24 27.57 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -64.51 157.3 27.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -154.27 157.26 32.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.185 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.68 153.46 26.37 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.411 HG22 ' OG1' ' A' ' 113' ' ' THR . 2.1 pp -156.05 133.8 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.211 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 72' ' ' ALA . . . -135.62 158.04 45.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 -162.39 36.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.529 ' HB3' HD12 ' A' ' 70' ' ' LEU . 31.5 p90 -131.47 153.01 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.38 130.8 6.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -108.82 137.75 46.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -154.98 153.07 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -100.75 122.04 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -93.78 147.74 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -144.69 148.25 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 101.95 48.91 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -46.29 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.11 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.53 178.45 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.48 37.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.18 -66.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -141.56 -47.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -176.61 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.99 103.29 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -99.66 134.07 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.681 ' HG ' HG13 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -152.52 116.0 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.1 175.02 34.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' A' ' 130' ' ' ALA . 3.2 mp -142.84 169.33 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.25 -161.34 30.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -133.68 132.92 41.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -96.14 120.66 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.3 125.24 46.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.08 162.3 23.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.7 m -146.13 143.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.228 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 85' ' ' ILE . 29.2 m -112.44 125.47 54.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.64 143.44 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -90.28 -179.35 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.84 -35.34 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -76.24 -27.8 56.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 63.79 91.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.61 139.74 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 60.19 -177.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.5 pp -71.98 148.03 91.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.636 ' O ' HD12 ' A' ' 121' ' ' ILE . 56.0 Cg_endo -70.37 -168.06 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.617 2.212 . . . . 0.0 112.288 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.2 90.6 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.06 149.14 71.05 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.498 2.132 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 144.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mp -136.91 126.15 24.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -133.84 133.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.37 126.02 9.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.759 HD11 HD12 ' A' ' 127' ' ' LEU . 3.4 mp -129.83 170.88 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.439 ' HB2' ' HG ' ' A' ' 106' ' ' LEU . . . -141.94 123.4 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -90.94 114.05 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.681 HG13 ' HG ' ' A' ' 104' ' ' LEU . 21.4 t -143.72 122.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.89 -168.29 40.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.98 147.09 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.49 -148.31 44.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.24 -11.28 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.599 2.199 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.32 128.77 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.01 131.38 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -102.19 138.66 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.41 139.3 49.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.4 tpp -121.09 118.87 30.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.54 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -150.52 124.14 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 144' ' ' ILE . 3.8 mp -86.14 122.92 72.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 169.85 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.464 2.11 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.5 135.2 4.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 79.13 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.92 141.3 40.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.79 37.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -163.69 115.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 98.1 29.65 7.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.0 90.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 153' ' ' VAL . 27.0 m -98.57 120.98 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -127.7 124.04 36.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.62 151.77 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.4 139.59 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 129' ' ' LEU . 9.5 m0 -121.19 165.7 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.2 mtt -104.83 145.54 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -129.84 135.09 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.2 124.14 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -98.69 113.04 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -94.43 137.27 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 163' ' ' LEU . 13.1 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.04 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 9' ' ' THR . 1.5 mp0 -70.4 -26.01 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.32 -43.54 70.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.08 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -59.58 -39.61 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 5' ' ' GLU . 69.7 p -69.76 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.81 -38.07 89.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -70.96 -31.3 67.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.61 -56.99 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 pt -70.47 -34.11 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.46 94.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -33.5 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 m -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -73.83 -29.24 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -94.3 -68.96 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -158.96 170.42 22.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -115.17 140.98 48.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -141.18 124.49 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -102.21 146.64 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 124.98 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.5 149.57 44.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 177.65 5.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.7 172.95 23.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.56 166.63 18.05 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.15 141.86 13.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.42 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 7.4 m-85 -148.0 153.62 39.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' HD12 ' A' ' 58' ' ' LEU . . . 172.89 -166.54 39.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.8 mp -135.16 176.53 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 142.48 43.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -107.03 142.08 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -108.32 135.95 48.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 2.8 t0 -110.23 130.77 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -14.82 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.498 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.88 26.03 2.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.745 0.307 . . . . 0.0 111.308 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.8 48.22 28.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.661 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.06 154.05 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.73 103.08 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 70' ' ' LEU . 1.3 t-80 -81.4 126.0 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.25 109.92 2.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.571 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 68' ' ' HIS . 4.2 mp -123.46 130.26 52.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.06 156.82 42.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.21 113.67 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.426 ' HG3' HD12 ' A' ' 85' ' ' ILE . 5.0 ptt? -111.53 154.1 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 152.38 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -138.05 155.7 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 97.0 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -173.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.4 m -81.59 -2.97 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.428 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.2 20.58 8.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.718 0.294 . . . . 0.0 111.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.2 m120 54.3 30.52 12.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.18 45.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -87.29 113.14 22.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.21 124.97 85.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.33 143.45 19.69 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.123 . . . . 0.0 112.405 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.426 HD12 ' HG3' ' A' ' 73' ' ' MET . 22.7 mt -134.9 116.99 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.41 139.91 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.02 136.02 5.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.37 -179.47 42.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -122.96 145.51 48.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.82 153.0 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 t -113.01 128.29 56.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.96 136.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -148.58 159.0 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -130.62 148.05 68.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HG2' ' CE1' ' A' ' 102' ' ' PHE . 50.5 Cg_exo -53.66 -172.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.586 2.191 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tp -102.77 31.82 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.98 -64.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.67 170.82 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -109.96 54.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -102.42 -49.54 3.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 96' ' ' PRO . 45.9 p90 -111.47 136.26 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -116.47 162.14 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.72 124.62 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.68 147.81 18.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.53 126.66 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.54 -160.02 23.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 149.04 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -132.79 117.18 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.83 139.16 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 176.38 21.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.04 137.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.282 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.44 137.44 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.77 123.04 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -169.68 117.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.56 171.0 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.86 -68.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -76.81 -67.88 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -173.51 142.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -171.27 169.59 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 tp -93.43 135.09 25.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.61 167.44 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.592 2.195 . . . . 0.0 112.081 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.03 88.5 5.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.19 131.11 10.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.619 2.212 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.73 121.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.9 118.5 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.493 ' O ' HD12 ' A' ' 129' ' ' LEU . 16.0 mt -147.87 156.04 44.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.26 130.93 23.7 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.6 2.2 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.728 ' CD1' HG23 ' A' ' 142' ' ' THR . 6.4 mp -122.3 170.56 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -151.42 124.32 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m -123.35 162.04 23.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 139' ' ' PHE . 29.6 m -131.42 135.8 58.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.01 113.17 4.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.588 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.44 115.01 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.09 -150.24 40.44 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 -4.08 14.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.581 2.187 . . . . 0.0 112.791 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.636 HG12 ' CE2' ' A' ' 160' ' ' PHE . 29.6 m -114.49 155.09 15.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 111.236 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.4 m -134.03 108.17 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.457 ' HB3' HG22 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -71.03 146.0 49.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -136.18 160.06 39.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.816 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.94 158.49 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.728 HG23 ' CD1' ' A' ' 129' ' ' LEU . 3.1 m -132.0 126.16 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -148.16 140.87 24.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.458 HG13 HD22 ' A' ' 127' ' ' LEU . 3.7 mp -92.62 110.78 47.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -50.98 158.49 3.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.486 2.124 . . . . 0.0 112.383 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.4 -156.2 18.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.6 t -176.75 147.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -140.96 -47.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -162.9 -65.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -100.4 -35.2 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.62 27.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.48 -169.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.78 130.47 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.37 136.47 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -105.05 138.07 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.09 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.49 157.11 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 11.4 ttm -134.18 149.98 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -151.86 128.2 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' PHE . . . . . 0.636 ' CE2' HG12 ' A' ' 137' ' ' VAL . 97.7 m-85 -100.89 146.98 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -110.71 130.2 55.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.25 138.49 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.695 0.283 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.96 -57.12 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.693 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 8' ' ' THR . 4.4 mt-10 -69.72 -25.9 64.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -74.73 -32.19 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mtt -78.11 -46.52 20.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 5' ' ' GLU . 9.3 t -59.39 -46.94 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 8' ' ' THR . 10.7 t -59.84 -44.26 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 9' ' ' THR . 1.2 t80 -68.67 -46.09 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -34.86 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.03 -34.48 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 17' ' ' THR . 5.7 t-20 -67.43 -52.04 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -64.19 -33.2 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.065 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 13' ' ' ASN . 3.5 t -58.63 -30.43 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.877 0.282 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -95.86 -46.61 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -145.6 126.83 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -79.32 133.52 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.84 150.37 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' CE1' ' A' ' 162' ' ' PHE . 1.3 tt -133.39 125.32 28.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -91.83 114.41 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 HD22 ' A' ' 26' ' ' LEU . 2.8 pp -146.57 155.07 49.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.13 177.41 3.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.7 m0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.76 100.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.56 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.91 -157.33 26.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 26.7 m-85 -136.48 174.03 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.53 170.57 43.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mp -127.28 177.89 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.15 157.39 43.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -145.49 149.84 35.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -94.74 139.74 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -114.6 127.11 55.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -51.36 -23.36 3.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.625 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 26.11 1.8 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.68 0.276 . . . . 0.0 111.312 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.27 48.13 87.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.0 130.19 41.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -108.29 99.29 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 138.54 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.75 120.19 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.542 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 70' ' ' LEU . 3.8 pp -123.7 120.97 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 27' ' ' TYR . 55.5 p90 -140.99 162.73 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.87 119.24 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ptp -117.6 172.54 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.09 142.4 26.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -112.31 126.21 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -122.03 115.71 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -175.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -31.26 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -83.45 -77.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -170.2 34.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.88 81.17 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -111.48 131.54 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.13 141.59 18.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.07 156.65 38.36 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.599 2.199 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.4 mt -150.36 124.27 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -114.47 157.91 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.6 136.76 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 70' ' ' LEU . 11.3 t80 -157.01 128.89 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.02 -159.66 15.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 51.4 p-90 -138.38 150.01 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.96 143.09 33.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 m -88.31 111.11 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 p -79.89 148.88 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.4 136.02 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -123.41 151.56 63.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 -23.02 28.76 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 0.0 112.415 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.06 79.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.54 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -109.56 -25.82 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 63.69 79.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -152.72 -46.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.31 111.0 21.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 132' ' ' VAL . 3.9 pp -111.24 148.09 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.633 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -154.6 161.14 30.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 tt -159.62 140.74 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.56 -159.98 23.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 6.8 m-85 -120.32 149.32 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.518 HG21 HD21 ' A' ' 129' ' ' LEU . 68.7 p -129.94 136.56 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 114.02 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.2 136.97 13.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 25.8 m -116.01 139.49 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -146.36 131.49 18.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.04 130.31 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -153.16 102.77 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -168.14 -178.2 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -104.01 112.14 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.4 m0 59.9 36.27 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 121' ' ' ILE . 1.5 t-20 -145.33 161.73 38.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -139.44 77.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.45 HG23 ' OD1' ' A' ' 119' ' ' ASN . 1.6 pt -108.27 109.81 61.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 119.78 6.81 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.78 98.99 7.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.27 156.53 64.34 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.354 2.036 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.656 ' O ' HD23 ' A' ' 127' ' ' LEU . 21.7 t -149.19 130.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.18 120.07 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -144.42 99.95 4.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.789 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 55.8 Cg_endo -70.13 141.37 43.56 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.496 2.131 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 109' ' ' THR . 1.7 pp -155.36 170.9 20.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 105' ' ' GLY . . . -148.46 157.49 43.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 p -130.62 130.49 44.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 104' ' ' LEU . 17.4 m -139.56 132.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.46 -149.08 21.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.616 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.86 ' O ' HG23 ' A' ' 138' ' ' THR . 0.1 OUTLIER -94.41 147.27 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -45.98 -58.53 5.54 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 25.7 Cg_endo -62.24 -30.77 81.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.417 2.078 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 137' ' ' VAL . 6.0 m -136.84 110.92 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 134' ' ' TYR . 0.7 OUTLIER -134.79 148.03 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.469 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 3.8 t80 -102.28 124.69 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.09 139.84 39.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.13 118.18 30.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -103.46 127.1 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.46 119.52 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 153' ' ' VAL . 4.4 mt -84.95 129.73 55.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -73.55 127.48 11.78 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 90.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.56 -57.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -158.35 -46.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -152.65 169.79 21.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.63 33.09 8.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.27 103.84 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' ILE . 8.9 p -133.14 148.2 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -107.25 127.58 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -105.89 120.25 41.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 139' ' ' PHE . . . -114.51 155.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -148.19 138.62 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.9 mtt -90.85 144.85 25.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.26 135.6 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.08 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -126.17 115.29 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 26' ' ' LEU . 27.9 p90 -136.95 -175.16 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.83 0.348 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.07 -46.78 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.88 -22.11 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.326 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.04 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -76.8 -30.92 56.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -42.22 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -58.82 -31.06 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.59 73.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.97 -37.88 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -30.86 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -30.66 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.41 -43.05 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 17' ' ' THR . 36.6 mm -67.0 -30.91 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.22 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -49.13 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 14' ' ' ILE . 7.3 t -60.11 -36.17 76.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -62.68 -36.86 84.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -28.18 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 62.64 149.12 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.52 -175.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.7 64.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.65 133.0 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 106.53 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -100.44 141.85 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.77 118.26 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.8 113.01 24.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.07 136.28 27.36 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 151.29 26.35 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.455 2.104 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.77 110.23 19.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -122.83 166.54 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.9 m -162.79 107.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -65.02 -77.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 m80 62.83 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.04 158.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -71.03 -40.1 71.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -138.41 126.11 22.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.38 91.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -75.81 130.36 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.68 165.38 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -120.87 129.87 53.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -85.38 141.65 29.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.49 169.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 m 61.15 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.46 -177.71 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.02 -172.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -82.98 157.22 23.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -81.27 153.75 26.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.89 117.51 30.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 91.69 2.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.46 112.19 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -103.43 -49.79 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.56 -155.63 23.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.499 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.57 14.22 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.56 162.58 25.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.8 p90 -148.42 142.82 26.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -166.9 -162.35 18.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 57' ' ' GLY . 4.5 mp -141.19 176.9 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.49 158.44 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -139.07 141.9 38.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -104.44 142.18 35.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -120.38 124.09 44.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.25 -21.1 21.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -91.13 25.99 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.274 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.72 52.36 39.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.05 133.83 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -115.4 102.04 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.73 130.78 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.17 109.99 1.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.7 120.13 38.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.766 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -144.41 146.81 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.98 109.97 11.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.75 140.83 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.92 138.36 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -114.77 128.41 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -115.29 113.11 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.07 168.61 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -82.46 -31.89 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -153.05 65.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -162.22 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.83 167.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -115.04 146.23 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.96 125.35 14.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.63 167.63 26.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.475 2.117 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -149.5 127.52 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -101.33 149.51 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.2 136.02 4.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -146.4 147.17 31.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.52 -168.45 32.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -131.81 147.26 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.1 152.04 31.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -109.62 117.32 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.4 m -88.82 122.48 32.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -109.23 126.27 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -107.35 139.36 20.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.09 174.37 10.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.491 2.127 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.38 75.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.74 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -155.66 171.13 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.36 61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.72 -39.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -126.98 121.8 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 142.97 44.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.72 127.33 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.85 171.26 23.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 107' ' ' GLY . 0.6 OUTLIER -160.71 150.43 17.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.463 ' N ' HD23 ' A' ' 106' ' ' LEU . . . 172.64 -162.67 34.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -116.49 147.63 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -132.76 137.5 46.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.18 149.91 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.639 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -140.47 141.77 11.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.2 m -124.89 124.5 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -112.3 120.26 41.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -130.19 150.62 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.411 ' NH1' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -144.85 -177.61 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -169.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.16 -179.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -91.98 85.11 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -157.75 -53.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.17 178.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.1 pt -104.34 145.04 29.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 65.9 Cg_endo -73.94 -168.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.359 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.411 HD13 ' NH1' ' A' ' 115' ' ' ARG . 7.5 mp -126.97 92.39 44.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.49 147.12 70.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.112 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 111' ' ' GLY . 7.3 m -152.04 143.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.59 117.35 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mt -137.65 147.63 58.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.3 146.42 50.85 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.53 2.153 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 140' ' ' GLN . 0.5 OUTLIER -142.72 152.97 42.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.473 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -123.2 140.71 52.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -103.64 135.13 45.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.25 116.18 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.83 111.03 4.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.72 115.0 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.56 -150.33 38.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.35 -6.55 19.03 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.634 2.223 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 22.0 t -111.75 154.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 10.2 m -118.05 144.04 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -127.34 133.84 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.664 ' HB3' HD21 ' A' ' 129' ' ' LEU . 35.3 mt-30 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.5 mmm -94.1 144.05 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.09 124.1 51.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -105.55 144.97 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.96 99.95 6.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.42 151.94 65.63 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.458 2.106 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.92 146.28 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 10.7 m -104.24 97.93 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -137.45 -71.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -115.59 -61.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -105.41 -51.56 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.4 28.55 73.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -172.0 35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.6 m -86.2 133.36 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -112.98 129.53 56.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.93 162.18 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -142.75 139.77 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -137.43 151.78 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -94.11 140.63 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.04 137.57 39.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -88.4 124.76 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.9 117.07 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mp -112.83 92.18 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.65 134.06 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -165.03 78.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -102.51 177.18 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.56 153.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -159.38 35.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -159.59 119.73 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.89 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.747 0.308 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -166.26 170.37 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -17.23 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.491 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.99 -57.11 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.619 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -25.99 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.771 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -57.87 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.2 -42.37 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -65.05 -49.55 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.83 -31.65 71.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.23 -31.73 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.79 -53.06 23.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' ALA . 3.2 tt -60.47 -44.68 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -59.8 -35.24 74.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.13 -52.81 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -31.9 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.25 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -79.64 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.36 149.5 81.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.54 -47.88 1.29 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.47 33.73 23.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' O ' HD13 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -63.18 127.68 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.06 111.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.799 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.05 119.55 33.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.13 142.49 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 159' ' ' ARG . 7.6 m-85 -120.06 134.59 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.31 152.93 65.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 -171.37 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.239 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.9 175.88 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -133.83 122.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 p -127.42 -44.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -46.84 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.07 128.81 54.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.0 108.38 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -129.55 -45.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.93 152.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 128.99 38.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -124.76 104.9 8.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.21 157.19 33.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.21 -46.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -123.11 162.16 23.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 113.54 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.81 -57.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.71 -37.28 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.69 157.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -96.91 141.86 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -67.29 123.15 19.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -91.11 119.2 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -161.95 95.11 1.28 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.64 175.57 6.02 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.484 2.123 . . . . 0.0 112.237 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -114.02 40.68 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.89 178.63 16.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.23 147.67 5.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -114.7 145.15 18.58 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -152.0 152.79 32.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.528 ' O ' HD22 ' A' ' 58' ' ' LEU . . . 178.42 -163.52 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -133.55 173.51 11.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.2 p -133.46 145.64 50.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -108.74 145.85 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -100.82 108.18 19.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.1 122.33 30.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.59 -15.52 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.486 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.06 2.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.02 46.47 44.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.56 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.08 144.25 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.05 92.01 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.95 143.37 55.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.06 110.0 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.7 mp -124.05 123.07 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -155.49 151.54 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 159.61 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.0 ttm -133.97 163.55 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.78 138.02 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.97 106.98 17.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.89 130.24 34.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -117.72 -177.46 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -12.3 30.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.372 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 15.93 12.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.361 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 55.29 81.52 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.767 0.318 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -177.07 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 82' ' ' TRP . 39.3 p90 -77.93 126.15 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 124.87 61.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.7 143.66 10.82 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.653 2.235 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 85' ' ' ILE . 8.2 tp -156.03 124.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.66 158.05 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.73 135.99 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.591 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 34.2 p90 -146.86 136.48 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.61 179.38 33.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -106.05 141.92 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -132.93 141.64 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -126.57 120.47 29.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.9 p -80.69 128.21 33.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -125.6 154.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -106.43 101.91 38.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.5 133.96 25.35 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.455 2.103 . . . . 0.0 112.25 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.59 81.16 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.27 -65.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.02 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.4 -45.55 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -136.23 62.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.07 102.49 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 128.36 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 132' ' ' VAL . 7.2 tt -136.02 124.21 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -141.45 163.59 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.5 161.89 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.22 177.85 46.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -125.81 127.57 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.551 ' OG1' HD22 ' A' ' 129' ' ' LEU . 61.8 m -99.73 131.72 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -103.75 115.3 30.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.3 122.77 7.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 135.15 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.422 HG22 HD13 ' A' ' 85' ' ' ILE . 66.0 p -105.82 147.71 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.03 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 142.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.29 31.78 0.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -139.14 33.73 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 60.54 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 59.97 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.91 141.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.404 ' CD1' ' HD2' ' A' ' 122' ' ' PRO . 4.5 tp -79.56 135.86 56.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' CD1' ' A' ' 121' ' ' ILE . 66.6 Cg_exo -51.19 159.87 2.5 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 90.53 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 154.89 66.82 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.478 2.118 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 126' ' ' LEU . 21.6 t -152.06 159.06 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.478 ' N ' HG12 ' A' ' 125' ' ' VAL . 1.7 mp -142.35 115.01 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 mt -135.8 142.64 41.38 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.59 138.22 23.81 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.46 2.107 . . . . 0.0 112.391 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.725 ' CD2' HG22 ' A' ' 142' ' ' THR . 5.7 mp -132.54 173.9 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -148.56 167.93 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.86 121.51 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.5 t -141.23 122.95 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.76 -168.22 40.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -141.43 145.99 35.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.58 -144.06 41.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 160' ' ' PHE . 43.7 Cg_endo -68.16 -19.84 44.36 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.518 2.146 . . . . 0.0 112.393 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.96 111.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 131.76 31.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.4 129.89 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -109.07 116.18 31.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' MET . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 3.0 mmt -92.68 133.52 35.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.725 HG22 ' CD2' ' A' ' 129' ' ' LEU . 75.4 p -126.9 140.59 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -109.99 113.67 26.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.58 99.9 7.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.58 148.0 58.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.522 2.148 . . . . 0.0 112.316 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -60.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.4 m -116.1 151.28 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -99.23 31.14 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -137.4 29.81 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.31 -43.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.07 37.07 2.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.65 106.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.77 99.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.62 133.4 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.18 164.01 12.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.55 155.07 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -133.31 148.77 51.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 16.8 mtm -89.16 138.24 31.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 27' ' ' TYR . 1.6 ttm180 -122.8 130.46 52.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 136' ' ' PRO . 0.6 OUTLIER -133.6 135.84 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -86.3 139.63 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 160' ' ' PHE . 96.6 m-85 -133.79 175.23 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.17 92.66 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -138.41 145.43 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -108.98 105.25 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -145.08 101.66 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -144.38 -170.87 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -95.11 157.17 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -102.91 115.22 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.937 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ttm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -133.06 28.03 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.04 -20.49 57.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.393 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.15 -57.14 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.649 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.18 -25.9 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -76.78 -31.0 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mmm -77.4 -41.63 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -61.11 -29.77 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -42.06 85.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -38.94 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.68 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mm -73.61 -31.03 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.77 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -69.93 -45.05 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -59.82 -31.85 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -83.85 -61.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.64 -75.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 143.19 94.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.88 150.81 39.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.61 2.207 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -167.99 33.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -121.76 144.08 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -115.84 103.14 10.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 152.91 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.15 119.16 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -93.69 112.97 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 155.73 80.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 159.77 50.25 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 112.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 152.25 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' ILE . 8.1 tp -166.58 120.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -129.42 -177.93 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -122.48 -43.59 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.01 -50.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -113.54 78.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.99 179.55 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -64.74 118.39 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -120.5 147.41 45.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -72.33 -177.47 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.01 79.67 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -161.49 164.47 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 160.92 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -92.87 131.71 37.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.0 149.18 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -106.1 79.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.44 142.5 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -121.55 122.64 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.0 mtt85 -128.85 147.77 65.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.08 139.71 33.16 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -158.53 120.9 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.8 -84.65 1.34 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.5 164.26 17.1 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 151.27 16.94 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -151.98 131.13 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.4 -151.04 6.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.55 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mp -141.59 176.15 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.6 m -135.45 160.61 37.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -136.22 162.15 33.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -115.58 133.7 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.77 126.48 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.31 -19.39 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -91.62 26.11 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.314 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.23 49.92 49.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.543 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.05 154.41 49.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -122.39 115.39 22.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -96.09 126.09 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.32 111.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.4 pp -129.25 130.05 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -153.91 151.02 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.21 124.79 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.8 mtm -92.37 171.78 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.68 138.02 19.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.12 152.39 41.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -105.54 110.09 22.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.99 161.85 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -93.0 -16.77 24.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 2.3 p-90 -152.86 30.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -153.44 -166.99 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -91.7 163.15 14.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.437 ' CD1' ' HG2' ' A' ' 76' ' ' LYS . 10.8 m0 -60.2 142.27 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.84 124.94 29.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.71 157.34 35.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.494 2.13 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.49 HG23 HG22 ' A' ' 113' ' ' THR . 4.0 mp -142.91 142.99 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 146.38 40.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.76 137.86 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -144.68 130.03 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.2 151.97 24.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.66 119.97 25.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -138.94 152.92 48.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -109.08 127.15 53.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.6 p -99.3 150.02 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.65 154.58 51.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 101.9 14.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.18 -169.76 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.482 2.122 . . . . 0.0 112.213 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mp -99.71 -33.79 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.5 69.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.23 147.33 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -112.38 -28.3 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.76 31.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -127.08 120.9 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -104.94 151.45 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.56 125.32 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.37 163.37 31.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.71 160.24 39.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -165.72 35.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.547 ' HB3' HD21 ' A' ' 126' ' ' LEU . 38.6 m-85 -119.49 129.29 54.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 129' ' ' LEU . 1.4 p -109.33 113.42 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.64 159.59 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.21 129.61 2.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p -116.09 140.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.49 HG22 HG23 ' A' ' 85' ' ' ILE . 23.3 p -120.02 159.46 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -114.63 142.01 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.631 ' NH2' HD22 ' A' ' 123' ' ' LEU . 11.3 mtm-85 -154.93 136.23 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.85 41.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -104.15 109.46 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 67.28 -72.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.54 177.07 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.37 30.92 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.2 mm -109.53 127.15 27.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 161.79 4.74 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.371 2.047 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.631 HD22 ' NH2' ' A' ' 115' ' ' ARG . 5.5 mp -110.42 86.11 5.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 156.8 60.36 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.9 t -152.24 146.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 108' ' ' PHE . 1.1 tt -134.26 126.86 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 127' ' ' LEU . 6.5 tp -147.85 138.86 13.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.62 137.62 50.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.528 2.152 . . . . 0.0 112.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.669 HD21 ' HG2' ' A' ' 140' ' ' GLN . 8.2 tt -143.78 152.8 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.73 138.97 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.6 p -106.68 140.82 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.817 HG13 ' HB2' ' A' ' 139' ' ' PHE . 12.2 p -143.82 124.93 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -93.95 116.1 5.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -123.37 114.88 20.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.58 -150.4 38.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.52 -5.39 16.83 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.629 2.219 . . . . 0.0 112.681 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 21.7 t -112.32 155.09 13.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 111.25 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -102.21 147.99 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.817 ' HB2' HG13 ' A' ' 132' ' ' VAL . 9.4 m-85 -122.72 146.01 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.669 ' HG2' HD21 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -140.7 125.89 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 mtt -122.57 123.37 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 138.68 31.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -104.16 146.27 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.966 HD12 HG23 ' A' ' 153' ' ' VAL . 24.3 mt -136.01 135.78 21.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 128.27 15.61 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.465 2.11 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.23 -138.37 10.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m -119.51 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -172.09 136.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.26 -78.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.79 174.55 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.92 28.69 7.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -110.04 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.966 HG23 HD12 ' A' ' 144' ' ' ILE . 6.1 m -106.36 144.42 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -127.23 138.11 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.07 149.48 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.22 157.05 43.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -166.31 142.76 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.43 146.22 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -123.44 122.44 38.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.6 142.15 36.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -116.52 122.05 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -130.32 166.63 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt -144.8 130.35 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -139.96 110.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.2 131.39 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -78.77 -29.57 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.4 t60 62.86 -176.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 60.33 80.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -60.24 128.5 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.876 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.824 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.57 -55.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.41 -20.21 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -25.91 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -67.28 -39.36 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.1 mmm -60.25 -31.55 70.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -31.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -69.99 -31.28 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.95 -55.9 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.06 -31.04 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -71.07 -30.92 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -73.24 -39.32 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm -70.89 -42.8 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.37 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -38.6 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.15 -32.32 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -72.56 -31.73 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -85.72 -38.91 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.71 139.85 35.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -168.18 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.446 2.097 . . . . 0.0 112.286 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.21 -64.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -113.03 178.69 4.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.07 165.11 13.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.01 123.56 32.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.69 124.69 42.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -107.2 127.43 53.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 tt -143.37 134.95 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 161.01 47.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.46 2.107 . . . . 0.0 112.281 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -96.85 104.93 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 30' ' ' ALA . 2.2 pt -158.57 146.63 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 33' ' ' TRP . 6.3 t -114.46 -48.88 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.438 ' N ' HG23 ' A' ' 32' ' ' THR . 35.4 t-105 -177.2 -69.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -178.51 138.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.04 -169.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.77 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -95.41 175.61 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.69 111.2 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -125.75 120.83 31.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.4 148.57 23.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.38 88.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.65 172.56 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -152.85 150.94 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -101.87 144.18 30.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.41 -50.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.42 -178.48 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -132.06 88.66 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.36 123.06 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -97.75 112.99 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -81.32 148.46 63.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.96 171.84 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.6 2.2 . . . . 0.0 112.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -163.17 31.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.28 -96.54 2.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.13 165.49 12.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.35 159.08 23.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -151.45 152.81 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.77 -164.86 37.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -131.96 173.7 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 168.3 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.77 177.96 9.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -140.05 106.99 5.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -61.66 142.92 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -59.81 -17.2 34.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.569 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -89.76 26.13 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.583 0.23 . . . . 0.0 111.294 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.79 52.7 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.587 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 38.7 m-20 -132.0 157.08 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -132.1 109.95 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -124.64 137.18 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.85 141.17 8.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -105.32 130.81 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.0 145.16 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.2 110.77 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.92 163.42 15.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.43 138.2 29.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -102.97 156.19 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 119.93 39.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.12 -177.41 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -78.38 -34.66 48.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -109.09 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -175.59 78.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.66 77.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -60.67 105.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.58 124.96 91.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.747 ' O ' HD13 ' A' ' 85' ' ' ILE . 73.0 Cg_endo -76.1 137.38 19.28 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.165 . . . . 0.0 112.309 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 84' ' ' PRO . 22.3 mm -141.38 134.69 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.81 151.46 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.38 8.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 1.7 t80 -105.48 149.25 26.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.67 147.2 18.72 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -139.09 125.39 20.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 129' ' ' LEU . 5.8 mt-10 -133.9 153.05 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.35 135.16 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 140.75 48.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.95 141.2 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.1 136.92 28.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.78 -73.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.55 2.167 . . . . 0.0 112.261 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.2 tt -173.9 36.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.82 30.8 20.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.54 -34.23 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -103.28 -22.85 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 66.07 30.9 9.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.03 126.85 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.78 129.13 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 104' ' ' LEU . 9.2 tt -123.04 119.94 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.86 162.41 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -145.33 126.09 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -165.3 -160.22 12.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 4.0 m-85 -134.9 151.43 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 109' ' ' THR . 9.5 t -118.27 117.94 30.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.18 120.51 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.23 -169.53 16.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.06 137.85 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 HD23 ' A' ' 123' ' ' LEU . 1.3 t -135.68 156.62 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.16 140.16 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -85.95 166.21 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -59.79 112.99 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.6 m95 60.57 -176.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -173.35 105.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.659 ' CD2' HG23 ' A' ' 121' ' ' ILE . 2.5 p90 -153.74 -46.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.659 HG23 ' CD2' ' A' ' 120' ' ' TYR . 2.6 pt -97.92 143.15 25.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.17 153.17 40.81 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 113' ' ' THR . 3.5 tp -116.69 88.59 25.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.83 136.12 34.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.582 2.188 . . . . 0.0 112.313 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.3 m -138.49 125.16 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -130.04 117.44 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 mt -144.28 140.09 16.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.674 ' C ' HD13 ' A' ' 129' ' ' LEU . 74.5 Cg_endo -75.05 157.94 42.28 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.487 2.125 . . . . 0.0 112.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.674 HD13 ' C ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -157.71 177.55 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.41 129.38 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.0 p -99.67 118.73 36.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.5 m -128.07 118.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.52 -160.38 33.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -146.0 144.48 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.59 -143.7 41.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.0 -20.36 44.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.555 2.17 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 t -90.6 110.94 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 140' ' ' GLN . 25.2 m -137.81 128.95 27.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.13 126.85 35.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.401 ' OE1' HG22 ' A' ' 138' ' ' THR . 0.5 OUTLIER -107.64 134.17 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.27 118.24 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.17 123.57 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -114.9 133.45 55.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 15.3 tt -106.32 136.03 19.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 169.98 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.453 2.102 . . . . 0.0 112.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.49 -152.92 7.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.13 -45.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 153.05 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.29 -33.76 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -80.57 140.5 35.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.01 5.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.72 132.9 37.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.39 107.8 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -100.77 134.75 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.96 142.46 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -108.14 145.42 34.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -148.26 126.45 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.39 126.96 41.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -117.62 123.17 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -125.34 131.36 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.17 134.17 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.64 133.42 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.44 147.71 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.9 88.51 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -129.71 -176.75 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -152.14 -52.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -146.38 87.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.86 147.49 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 6.3 m80 60.63 167.82 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.902 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.867 0.365 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.8 30.18 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.48 -16.82 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.521 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.19 -49.48 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -25.83 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.567 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.66 90.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.31 -31.02 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -68.37 -31.28 70.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.44 -37.49 87.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -73.42 -32.02 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -32.77 47.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -74.18 -40.21 62.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 15' ' ' ALA . 19.3 tt -68.5 -44.29 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.57 -41.54 98.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -53.27 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 14' ' ' ILE . 9.4 t -60.58 -31.4 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -31.45 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -63.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 60.98 163.2 0.1 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.6 Cg_endo -67.61 124.41 11.94 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.574 2.183 . . . . 0.0 112.236 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.06 -31.81 44.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -116.14 128.15 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -111.04 115.14 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.477 ' C ' HD12 ' A' ' 26' ' ' LEU . 68.9 m-20 -103.9 162.21 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 25' ' ' ASP . 3.9 mp -147.41 114.77 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.36 130.15 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.1 pt -134.21 133.09 21.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.34 -174.26 2.13 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.534 2.156 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.96 -170.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 tt -114.11 130.2 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 p -77.29 -70.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 62.86 120.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -50.35 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 61.06 -176.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.31 -47.31 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -167.19 -66.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.61 114.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -79.77 161.54 25.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -93.83 139.79 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -111.79 121.59 45.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -87.02 82.94 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -137.42 96.82 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.602 HG22 ' OD2' ' A' ' 45' ' ' ASP . 19.1 m -142.5 -65.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.602 ' OD2' HG22 ' A' ' 44' ' ' THR . 8.6 m-20 -152.75 37.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -138.28 134.4 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -69.04 136.71 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -109.24 134.0 52.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.39 162.26 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 72.09 26.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 99.03 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.602 2.201 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -92.91 157.44 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.7 92.52 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.68 171.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.15 33.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -115.45 173.95 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.33 156.98 24.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -145.71 177.98 8.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.807 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.3 p -172.26 154.05 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -131.44 179.12 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.67 132.62 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.25 122.64 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -18.67 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 26.15 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.289 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.58 42.51 95.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -132.11 157.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -111.91 100.47 8.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 142.47 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.35 141.42 12.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 tt -154.02 114.05 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.77 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.542 ' OH ' HG21 ' A' ' 109' ' ' THR . 43.6 p90 -136.5 162.69 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.24 129.99 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.1 mtt -128.18 177.06 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.06 138.01 29.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -106.12 141.29 37.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -84.94 145.38 27.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.86 -173.74 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -31.92 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 -69.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -166.84 92.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -169.24 124.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -114.94 131.24 56.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -120.77 124.99 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.98 159.69 41.12 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.398 2.066 . . . . 0.0 112.392 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 113' ' ' THR . 26.9 pt -144.32 135.14 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -99.77 146.76 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.94 135.98 5.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -145.41 140.68 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.4 22.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -129.89 144.1 51.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.57 148.07 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -99.79 140.78 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.95 147.97 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.39 117.32 6.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -125.11 148.85 61.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -29.19 21.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.567 2.178 . . . . 0.0 112.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tp -162.15 36.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.63 70.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.93 162.93 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -109.02 -28.8 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -58.98 -61.92 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -114.54 132.73 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -144.03 162.14 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.699 ' HB3' HG23 ' A' ' 132' ' ' VAL . 3.4 pp -152.1 144.78 24.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -159.87 -178.54 33.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.03 157.09 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.7 -164.45 35.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.93 157.85 19.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.542 HG21 ' OH ' ' A' ' 71' ' ' TYR . 20.0 m -138.94 132.1 29.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.02 113.97 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.62 129.97 10.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.567 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 86' ' ' ALA . 15.5 m -115.97 126.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.541 HG22 HG22 ' A' ' 85' ' ' ILE . 42.5 p -130.7 128.46 40.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -106.69 135.37 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -112.22 95.29 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.62 92.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.21 -51.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -130.77 -61.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -127.38 -178.38 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -100.48 94.86 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.17 92.99 37.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.31 154.06 15.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.529 2.152 . . . . 0.0 112.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.64 89.26 27.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.97 145.02 44.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.57 2.18 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -147.09 120.98 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.13 123.27 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 mp -146.23 140.96 15.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.663 ' C ' HD13 ' A' ' 129' ' ' LEU . 87.6 Cg_endo -83.39 149.52 13.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.619 2.213 . . . . 0.0 112.493 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -158.52 179.23 9.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.69 175.34 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -160.04 118.03 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 104' ' ' LEU . 9.3 p -143.99 133.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.81 -166.08 35.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -145.9 147.07 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.93 -150.95 35.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.13 -7.49 21.09 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.581 2.187 . . . . 0.0 112.603 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 137' ' ' VAL . 11.9 p -107.01 116.43 50.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.694 HG23 ' HB3' ' A' ' 159' ' ' ARG . 1.5 t -138.01 147.27 44.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -108.91 143.42 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -122.67 125.21 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 80.7 mmm -106.44 156.18 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 142' ' ' THR . 9.7 t -141.01 120.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -100.25 155.86 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.4 tp -99.28 134.08 21.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.422 ' HD2' HD12 ' A' ' 144' ' ' ILE . 55.5 Cg_endo -70.03 135.32 29.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.272 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.84 128.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 147' ' ' THR . 5.6 t -143.65 79.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 148' ' ' TYR . 43.8 p90 -69.54 123.01 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.6 m120 68.24 -68.29 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -171.42 -175.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.26 28.42 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.543 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.63 103.94 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.2 m -94.9 130.66 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.88 136.27 48.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.72 161.0 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -136.58 138.11 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -129.38 151.77 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 7.4 mmt -93.28 135.53 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.694 ' HB3' HG23 ' A' ' 138' ' ' THR . 0.7 OUTLIER -131.81 141.26 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.36 134.46 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.33 119.79 40.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.01 178.58 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mt -131.21 150.0 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.21 98.71 8.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 145.11 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -168.81 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -94.96 158.31 15.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -84.97 -34.56 22.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -75.72 159.11 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -148.88 96.15 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.04 48.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -57.03 4.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.995 0.426 . . . . 0.0 110.579 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -25.84 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -45.47 57.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mmm -61.69 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.3 p -59.82 -38.57 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -77.99 -31.4 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -35.47 80.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -59.63 -32.71 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -31.28 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -76.64 -44.94 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.8 mm -67.59 -39.05 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.3 -49.32 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.5 p -72.94 -31.44 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -60.94 -32.08 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -92.1 -59.52 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.95 148.37 86.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 174.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.543 2.162 . . . . 0.0 112.256 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.21 32.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.41 106.59 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -103.98 139.73 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -138.97 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 28' ' ' ILE . 3.4 m-85 -99.29 125.83 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 27' ' ' TYR . 16.3 pt -158.61 147.77 14.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.47 -173.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.591 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -139.44 70.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 30' ' ' ALA . 24.4 mm -134.12 158.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.483 ' N ' HG22 ' A' ' 31' ' ' ILE . 22.8 p -130.13 171.71 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -145.03 169.74 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 72.6 m80 60.43 79.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.8 161.76 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtm-85 -78.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 155.93 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.02 107.17 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.77 167.26 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.24 157.34 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt 60.59 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.33 130.49 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -121.36 -46.28 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 p -72.39 -30.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 64.38 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.01 146.44 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.48 131.73 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -116.14 159.36 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.51 150.93 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -98.2 151.89 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.32 166.87 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -101.01 149.86 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.56 -141.98 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.21 -177.89 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.49 153.05 21.12 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.55 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -145.65 142.06 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.14 -163.52 24.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -127.33 177.95 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -155.95 169.13 25.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -132.51 154.04 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -136.13 132.12 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.19 141.4 50.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.35 -18.5 28.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.433 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -89.9 25.99 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.79 47.49 75.27 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.545 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.22 96.91 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -103.63 92.94 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -68.86 143.09 54.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.92 119.41 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.559 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 mt -144.68 114.1 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -151.8 164.88 36.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.93 120.08 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.07 168.63 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.09 137.93 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.85 135.17 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 145.63 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.27 -176.01 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 p -83.55 -28.03 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -138.63 -46.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.782 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -108.11 178.21 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -60.17 107.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.83 124.9 85.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.08 142.52 13.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.554 2.17 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.92 117.03 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.622 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -100.62 148.24 25.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.184 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.97 3.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -156.83 152.5 26.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.42 -173.48 39.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 92' ' ' SER . 12.4 t90 -98.16 144.1 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -136.11 135.57 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 87.6 p -134.23 130.89 37.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -119.82 147.65 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -122.3 159.02 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 150.2 43.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.16 -44.78 1.06 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.612 2.208 . . . . 0.0 112.238 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -176.71 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.06 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.33 28.74 13.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.72 75.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -175.22 -77.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -99.02 138.07 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -114.17 116.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -137.37 122.11 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.7 -172.91 38.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mt -132.8 170.99 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.05 146.88 8.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.7 142.29 27.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.46 132.44 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.95 114.04 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.671 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.5 134.62 11.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.0 m -128.23 126.79 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.7 p -109.11 116.78 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -107.13 142.64 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -121.56 -176.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -142.21 33.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -69.58 -64.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -126.54 -51.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -135.77 155.52 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.22 101.91 5.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.3 mt -131.66 92.91 29.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.36 143.52 53.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.455 2.103 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.35 88.05 3.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 112' ' ' VAL . 57.2 Cg_endo -70.87 153.36 63.89 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 111' ' ' GLY . 6.0 m -154.01 130.46 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 127' ' ' LEU . 4.6 mt -99.59 125.63 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.7 mp -147.99 144.08 18.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.01 149.23 41.38 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 ' NE2' ' A' ' 140' ' ' GLN . 7.4 tt -152.92 149.99 28.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.59 165.68 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -140.77 118.59 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.7 m -143.82 122.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.23 -163.94 33.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.611 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.8 139.7 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.84 -141.0 45.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.69 -23.22 42.65 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.493 2.129 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.54 110.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.3 m -130.75 112.88 13.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.644 ' CZ ' ' HB1' ' A' ' 156' ' ' ALA . 7.4 t80 -85.13 122.49 29.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.537 ' NE2' HD11 ' A' ' 129' ' ' LEU . 7.8 pt20 -110.78 158.23 18.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 25.7 mtt -129.63 122.53 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.9 m -101.03 129.94 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.09 133.2 51.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 tp -93.43 133.62 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.91 153.28 58.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.425 2.083 . . . . 0.0 112.221 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.58 98.95 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.78 86.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 -67.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -108.93 144.45 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.3 -172.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.02 30.45 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -110.34 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.59 142.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.79 134.44 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -105.71 133.12 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.644 ' HB1' ' CZ ' ' A' ' 139' ' ' PHE . . . -102.53 158.89 15.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -154.8 158.22 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 3.6 ttt -111.64 132.67 54.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -110.46 137.74 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.59 121.6 36.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -111.38 153.26 26.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 12.9 mt -131.1 140.33 49.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 120.57 24.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -160.06 37.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -176.7 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.29 100.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.4 -174.11 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -154.44 31.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.852 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -131.4 164.22 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.91 42.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.13 -57.05 4.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.87 -25.84 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -64.36 -42.71 96.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -63.3 -46.39 86.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.3 p -60.41 -48.8 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -60.53 -40.95 93.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.24 -33.22 69.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -62.11 -35.22 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.25 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -76.49 -53.45 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 11' ' ' ARG . 2.9 tt -59.95 -35.2 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.82 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.62 -37.12 76.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -74.05 -37.96 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -60.47 -53.96 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.55 -67.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 59.94 87.17 0.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 150.51 67.17 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.177 . . . . 0.0 112.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -139.12 -72.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -130.53 142.63 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.69 113.18 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -103.73 129.06 51.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.937 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -107.25 124.21 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CD2' ' HE2' ' A' ' 73' ' ' MET . 0.2 OUTLIER -100.06 113.28 25.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.937 HD11 HD23 ' A' ' 26' ' ' LEU . 32.1 mt -138.23 135.63 18.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.59 179.73 4.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.395 2.063 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.03 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 51' ' ' PRO . 4.5 pt -144.76 146.19 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.2 p -149.2 31.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -109.03 -40.81 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 87.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 60.65 78.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -152.38 90.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.49 149.71 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -130.5 124.91 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.01 123.97 18.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.93 132.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.9 78.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 -27.11 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p -55.37 -27.78 49.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t0 62.26 -170.84 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -109.53 -66.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.79 162.9 13.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -109.66 166.09 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.24 147.83 25.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -138.71 83.89 19.01 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.459 ' HG3' HG22 ' A' ' 31' ' ' ILE . 48.2 Cg_exo -55.57 -63.49 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.578 2.186 . . . . 0.0 112.217 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -157.93 30.49 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.15 -131.13 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.15 -175.84 45.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.584 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.7 -176.0 37.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -151.26 173.75 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.74 44.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.2 155.94 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.2 m -128.59 144.76 51.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.24 155.93 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -112.69 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.95 -22.86 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.399 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -70.82 -24.97 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.77 41.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -132.01 156.07 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.13 96.89 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -68.12 134.48 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.52 111.66 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.422 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -130.11 121.04 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 27' ' ' TYR . 2.4 p90 -156.42 159.62 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.22 127.01 51.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.465 ' HE2' ' CD2' ' A' ' 27' ' ' TYR . 1.9 ttm -118.95 144.68 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . . . -120.3 138.04 53.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 85' ' ' ILE . 55.0 p90 -103.84 141.46 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 119.32 24.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 -23.59 27.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.261 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -147.81 -51.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -65.31 -176.4 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.802 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -72.34 176.87 4.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -86.82 145.51 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.1 tt0 -101.66 125.24 37.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 17.3 Cg_exo -66.71 160.69 45.17 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.414 2.076 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.558 HD11 ' CD2' ' A' ' 75' ' ' PHE . 31.1 mt -147.03 151.93 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.731 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -104.8 147.32 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.18 137.65 6.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.9 p90 -152.47 134.77 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -173.39 33.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -135.99 148.6 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -142.56 152.96 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.9 m -85.6 141.08 30.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -117.63 143.53 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HB3' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ppt_? -128.85 101.91 19.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.29 178.21 3.87 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.433 2.089 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 97' ' ' LEU . 4.2 mp -91.62 89.34 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.11 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -127.2 165.94 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.87 -32.39 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -63.29 -55.45 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.78 129.39 39.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 95' ' ' ARG . 8.7 m-70 -143.91 149.2 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.767 ' HA ' HG12 ' A' ' 132' ' ' VAL . 5.6 mp -140.35 121.32 14.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.47 160.12 25.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -141.5 153.34 44.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.91 -159.98 22.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -122.05 150.92 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.559 HG21 HD13 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -131.93 139.42 48.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.646 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -123.31 152.12 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.62 160.08 27.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.731 HG23 ' HB3' ' A' ' 86' ' ' ALA . 9.6 m -148.0 117.05 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.44 113.5 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.59 159.07 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -177.97 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -118.12 -44.39 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -129.89 30.43 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m0 59.34 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -144.79 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -118.72 146.96 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.97 156.61 90.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.07 140.07 80.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.642 2.228 . . . . 0.0 112.121 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 tp -105.77 89.04 3.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 156.14 58.94 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.528 2.152 . . . . 0.0 112.252 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.74 144.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 110' ' ' ALA . 5.2 mt -143.22 114.98 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.8 155.36 44.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.95 147.0 54.3 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.65 HD21 ' HG3' ' A' ' 140' ' ' GLN . 9.5 tt -143.08 147.8 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.15 143.19 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.6 p -127.4 114.03 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 104' ' ' LEU . 21.5 m -139.82 131.29 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 157.67 -154.45 25.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.572 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -79.61 147.23 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -47.85 -61.2 4.95 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.967 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 27.3 Cg_endo -62.47 -30.04 79.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.541 2.161 . . . . 0.0 112.311 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 137' ' ' VAL . 9.7 p -137.95 110.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.4 p -116.67 147.97 41.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -89.89 133.65 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.731 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.65 ' HG3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -105.01 130.67 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.4 mmm -125.91 118.21 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -99.63 131.22 45.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 144' ' ' ILE . 53.5 t80 -132.88 159.05 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -139.37 147.09 51.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 170.1 19.33 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -148.69 -164.88 11.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.589 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.8 -33.74 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.5 -55.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.73 114.73 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.94 -35.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.38 24.57 53.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 t30 57.42 39.07 28.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 153' ' ' VAL . 11.6 p -73.02 112.15 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -138.02 142.98 40.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.27 145.96 40.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.64 161.31 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.07 169.65 17.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 13.1 mtt -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -133.93 124.91 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -103.37 147.08 27.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -123.17 134.39 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.13 133.8 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.78 152.24 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -127.03 113.15 16.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.78 -169.87 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 32.7 m170 61.03 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t60 63.91 132.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -166.09 33.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.883 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.892 0.377 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.04 106.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.83 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 8' ' ' THR . 2.7 t0 -77.04 -57.04 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.94 -25.94 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.89 -39.62 72.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mmt -77.88 -33.8 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 4' ' ' ASP . 59.1 p -59.98 -30.13 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -58.73 -31.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -67.61 -50.11 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -32.68 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.07 -32.57 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -72.08 -39.77 68.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -74.2 -40.71 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.09 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -50.85 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -60.55 -35.45 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -69.45 -53.82 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -35.9 76.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.04 149.22 94.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 179.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.562 2.175 . . . . 0.0 112.295 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -103.87 -31.88 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.45 150.07 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -128.88 137.86 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -120.62 165.5 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HD11 ' A' ' 28' ' ' ILE . 11.3 tp -139.67 132.35 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -112.47 113.16 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 26' ' ' LEU . 4.3 mt -126.44 135.93 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.0 Cg_endo -70.31 143.25 47.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.447 2.098 . . . . 0.0 112.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' ' SD ' ' A' ' 158' ' ' MET . . . -91.74 -64.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt -132.5 148.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 m -120.27 -66.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -85.43 -176.18 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -64.55 89.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.03 165.98 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -162.14 123.4 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.54 82.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 90.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.85 167.98 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.46 105.39 3.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -24.61 61.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.79 -67.05 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 74.05 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 46' ' ' ARG . 17.5 m -129.12 117.1 20.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.96 -37.36 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -85.89 151.33 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.32 153.78 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -110.96 111.42 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.2 158.88 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.87 155.36 36.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.73 148.45 65.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.63 86.32 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.16 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.9 -174.74 46.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.592 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -146.23 6.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -125.05 173.96 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 71' ' ' TYR . . . -145.14 142.6 10.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.93 178.06 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -170.11 168.06 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -131.92 169.5 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -105.76 153.53 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -142.48 123.18 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.74 -20.12 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.519 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -89.8 26.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 111.442 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.35 43.4 96.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.448 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -132.1 157.05 45.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -143.76 125.31 14.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.92 141.9 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.09 116.53 3.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.599 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.2 141.02 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.47 ' HB3' ' HE3' ' A' ' 73' ' ' MET . 11.5 m-85 -145.31 151.62 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.3 109.99 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.47 ' HE3' ' HB3' ' A' ' 71' ' ' TYR . 1.8 mtt -120.16 178.08 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.3 138.0 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -131.76 153.78 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.95 139.17 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.03 -169.6 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -28.65 65.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -97.92 28.82 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 56.04 30.53 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.33 111.83 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -69.24 116.42 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -102.4 124.95 37.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.83 162.58 37.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.2 119.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.511 ' N ' HD13 ' A' ' 85' ' ' ILE . . . -94.73 134.86 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.22 136.04 8.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.95 152.97 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.53 -162.81 31.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.47 149.26 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -137.47 138.2 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -135.6 105.23 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.4 p -92.09 140.17 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -134.3 128.24 33.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -137.12 142.86 39.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.1 -174.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.459 2.106 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.63 51.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.36 33.11 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.42 -52.8 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.55 -30.58 12.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 62.61 37.97 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.82 130.08 46.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.03 121.73 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.2 tt -150.43 120.04 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.13 177.07 31.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 137.93 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.08 151.74 22.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -101.73 140.93 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.04 121.53 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.406 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -101.42 114.07 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.85 15.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.06 123.54 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 m -116.13 138.11 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -146.84 127.62 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -117.71 137.69 52.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.27 161.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -106.51 -28.68 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.995 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -49.39 76.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -79.1 -54.52 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.422 ' O ' HD13 ' A' ' 121' ' ' ILE . 14.0 t80 59.52 84.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 120' ' ' TYR . 24.5 mm -128.67 92.8 39.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.39 148.68 70.18 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.49 2.127 . . . . 0.0 112.245 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.07 75.97 78.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.42 134.71 12.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.1 m -154.01 128.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.194 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -93.35 125.71 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 144' ' ' ILE . 0.1 OUTLIER -129.2 99.82 21.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.08 134.34 19.36 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.525 2.15 . . . . 0.0 112.344 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 142' ' ' THR . 1.7 pp -141.9 161.77 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.72 127.8 42.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 117.71 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 104' ' ' LEU . 13.3 m -143.97 125.88 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.63 -162.36 31.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -146.02 146.13 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.08 -149.93 29.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.62 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.58 -11.13 29.29 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.625 2.217 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 137' ' ' VAL . 35.3 m -101.69 121.34 52.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 148.02 44.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -129.54 130.74 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.99 143.26 33.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.2 mtp -111.9 121.44 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 129' ' ' LEU . 14.7 p -99.72 143.2 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -116.57 121.26 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.452 HD11 ' HE2' ' A' ' 155' ' ' PHE . 1.8 pt -140.87 99.9 6.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 163.83 37.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.25 -159.13 8.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.8 m -91.64 79.74 5.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.84 177.03 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.63 -50.17 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -90.1 -68.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.86 36.72 65.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.14 35.89 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -78.06 131.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -129.07 137.08 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.452 ' HE2' HD11 ' A' ' 144' ' ' ILE . 87.3 m-85 -113.09 148.72 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.5 148.89 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -130.91 161.31 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -95.37 128.97 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -130.81 119.45 22.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 120.86 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.11 121.6 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -133.51 155.25 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.66 159.53 17.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.25 85.28 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.67 -31.77 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 61.54 177.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 138.7 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -105.3 72.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -131.44 31.69 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 tpp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -70.41 -34.96 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.27 -24.31 11.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.38 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -57.05 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.642 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.52 -25.89 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.722 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -77.64 -30.82 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -46.27 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.3 p -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -60.1 -44.66 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' ILE . 2.4 ttt180 -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -44.22 77.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.6 -54.57 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 10' ' ' PHE . 17.4 tt -59.83 -34.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . . . -65.03 -55.07 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.51 -31.55 70.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -73.37 -48.11 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -44.17 97.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -58.25 8.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -138.49 122.79 11.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 -39.6 3.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.427 2.084 . . . . 0.0 112.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.91 136.88 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -103.8 140.18 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 52.9 m-85 -75.12 111.44 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.08 144.66 30.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 55' ' ' GLY . 61.6 tp -125.81 141.02 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -127.84 115.38 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.06 158.41 67.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.88 159.57 3.62 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.59 2.193 . . . . 0.0 112.28 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 -175.96 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 pt -97.92 142.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 33' ' ' TRP . 11.0 t -74.35 -46.24 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.432 ' N ' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -145.83 -74.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -153.43 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.96 87.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -128.84 -71.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -110.21 32.41 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.65 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.14 145.85 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -97.8 159.33 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -98.08 144.33 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -140.51 115.34 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -155.63 -46.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -150.56 -46.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.34 101.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -136.77 89.06 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 148.86 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -77.12 150.57 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.94 105.98 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -131.89 139.06 33.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.25 175.6 10.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.454 2.103 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.93 30.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.72 -157.3 42.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.37 -175.6 45.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -109.38 136.35 13.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -152.05 136.93 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.19 -156.09 9.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.26 178.01 7.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 p -141.07 168.2 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -151.87 160.61 43.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -104.66 139.03 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.45 123.7 49.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.69 -18.78 45.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -92.78 26.11 2.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.258 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.98 48.49 47.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.04 156.22 46.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.84 98.82 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -71.79 132.91 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.55 109.99 0.73 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 88' ' ' TYR . 0.8 OUTLIER -103.67 124.32 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.1 p90 -119.08 123.41 44.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 110.03 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 3.5 mtt -105.0 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.7 150.17 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.73 127.86 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HD2' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -90.6 96.93 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -69.94 151.81 45.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 p -59.44 -21.47 60.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -68.47 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.75 -76.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -82.26 154.22 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HD2' ' A' ' 76' ' ' LYS . 37.8 p90 -93.19 156.53 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.12 124.85 34.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 170.6 12.99 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.603 2.202 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' ILE . 2.6 tt -156.0 118.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.01 144.89 25.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -140.74 136.02 7.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.597 ' CE2' HD11 ' A' ' 70' ' ' LEU . 12.2 m-85 -135.61 113.95 11.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.18 166.86 24.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -135.39 128.69 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -138.74 153.01 48.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -106.79 126.62 52.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 p -110.7 140.58 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -124.27 135.29 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 155.15 45.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 162.37 42.25 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.482 2.122 . . . . 0.0 112.284 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.439 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.71 71.99 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.05 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.66 149.13 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -97.93 37.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -96.0 -57.87 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.69 132.27 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -136.64 137.68 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 132' ' ' VAL . 8.6 tt -145.05 119.87 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.02 170.39 33.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.58 163.07 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.75 37.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -115.8 142.97 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.418 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 31.1 p -117.04 110.98 18.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.23 119.83 36.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -126.42 178.75 16.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.51 147.9 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -119.88 128.61 53.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -139.95 131.66 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -67.87 170.19 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -105.14 -31.92 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.77 118.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' HD12 ' A' ' 121' ' ' ILE . 0.0 OUTLIER -141.79 -72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 120' ' ' TYR . 2.7 mp -126.59 92.97 43.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.62 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.595 2.197 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.6 tp -128.01 88.75 52.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.42 153.24 70.74 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.588 2.192 . . . . 0.0 112.286 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.2 122.72 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.34 125.93 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.6 mt -148.03 149.09 31.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.46 141.22 41.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.587 2.191 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.9 149.02 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.8 -179.59 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -164.32 120.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.53 HG21 HD12 ' A' ' 104' ' ' LEU . 12.1 p -142.84 134.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.02 34.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 134' ' ' TYR . 2.7 p90 -145.9 146.54 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.24 -146.08 37.2 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 -17.43 43.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.517 2.145 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.26 111.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 m -138.0 123.9 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -91.93 121.44 33.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.34 140.58 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.9 129.29 55.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -113.78 130.02 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.53 122.71 48.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.37 135.76 28.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.17 133.82 18.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.148 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.03 -108.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.9 m -127.62 -45.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -164.91 32.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -161.48 111.91 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -108.94 172.76 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.37 35.73 8.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -160.87 -49.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 153' ' ' VAL . 35.6 m -72.97 123.01 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -138.0 138.14 38.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.08 150.19 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -125.75 168.02 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -160.77 139.04 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.91 136.73 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.04 139.15 54.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -140.79 127.81 20.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -104.8 116.37 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -136.54 178.41 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 163' ' ' LEU . 11.9 mt -119.55 164.16 16.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -108.12 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -60.42 149.89 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -60.15 105.95 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.29 -48.61 67.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.05 -56.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -170.72 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.925 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.886 0.374 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.09 113.26 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.27 -21.38 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.567 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.21 -25.88 66.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -74.23 -30.31 62.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -31.82 63.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -59.83 -52.89 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -60.29 -31.21 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -68.01 -45.79 73.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -45.45 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -66.92 -35.61 80.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.81 -30.97 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.61 58.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.2 96.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 13' ' ' ASN . 54.0 p -60.04 -54.05 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.93 -31.58 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.13 -61.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -120.58 81.7 32.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.78 176.62 7.29 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.8 176.83 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.15 160.82 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -103.04 106.89 17.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -81.09 124.51 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 160' ' ' PHE . 0.4 OUTLIER -116.69 143.11 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 96.9 m-85 -131.97 113.44 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.29 144.77 33.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.2 -168.07 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.483 2.122 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.67 83.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 pt -135.91 146.28 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m 60.32 104.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -144.99 33.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.64 -171.05 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.22 139.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.94 -55.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -107.73 162.14 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.02 130.08 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -98.33 129.88 45.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 127.1 29.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -78.98 156.18 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -112.99 -45.73 3.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 76.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -140.6 109.59 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.63 -71.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -44.8 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.71 108.63 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -108.82 115.76 30.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -103.85 164.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -101.11 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.42 163.57 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.472 2.115 . . . . 0.0 112.249 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -146.43 121.09 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.78 164.1 10.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.08 -157.56 20.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.9 143.44 14.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -152.02 132.26 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -175.46 -171.04 39.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.7 mp -131.07 177.95 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.821 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 p -132.89 158.86 41.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -125.83 147.48 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 48.1 p-90 -106.97 131.13 54.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.28 115.51 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.08 -22.84 30.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -70.8 -23.27 62.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -132.07 157.04 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 53.8 t-105 -134.58 97.0 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -67.93 126.03 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.75 109.92 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.32 114.7 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.761 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -130.26 142.97 50.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 109.88 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.63 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.2 mpp? -94.53 175.58 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.03 138.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 83' ' ' GLU . 3.2 p90 -124.99 140.06 53.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.97 123.57 39.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.42 148.07 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -64.86 -19.78 66.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -151.1 35.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -157.33 -163.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -82.32 -176.49 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -102.36 137.34 40.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.9 mm-40 -95.08 125.0 52.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 85' ' ' ILE . 85.0 Cg_endo -82.29 156.3 16.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.593 2.196 . . . . 0.0 112.42 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 73' ' ' MET . 10.3 pt -156.12 122.73 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.0 153.99 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.203 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.68 136.03 4.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.409 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.03 -166.2 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.545 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -117.34 131.95 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -130.63 150.91 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -106.6 130.52 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 t -89.45 145.21 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 107.98 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -111.57 120.86 41.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.07 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.25 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.2 -50.11 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.11 88.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -146.47 50.1 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 60.99 31.73 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.4 t30 60.2 79.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 0.2 OUTLIER -90.66 141.98 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.06 122.89 48.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.842 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -122.82 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.76 142.6 11.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.3 tp -157.48 125.06 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.423 ' O ' HD13 ' A' ' 129' ' ' LEU . . . -175.62 -162.55 26.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.6 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.88 160.4 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 m -137.53 133.71 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.83 139.46 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.07 -141.16 3.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.8 m -131.82 136.04 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 t -134.17 149.29 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.13 118.94 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -153.23 93.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.52 -178.45 4.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -114.11 104.61 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.23 33.48 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.09 110.5 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 81.96 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.9 tt -136.05 92.89 15.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.82 122.54 10.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.6 OUTLIER -103.81 140.28 20.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.4 ' HD2' HD23 ' A' ' 123' ' ' LEU . 60.3 Cg_endo -72.6 134.59 22.52 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.367 2.044 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.23 137.36 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 126' ' ' LEU . 9.4 tt -135.61 120.35 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.679 HD22 HG22 ' A' ' 144' ' ' ILE . 1.4 pp -145.65 147.65 33.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.34 158.09 52.16 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.56 2.174 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.568 ' C ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.06 171.83 16.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.567 ' N ' HD22 ' A' ' 129' ' ' LEU . . . -170.44 153.3 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.3 t -140.95 123.19 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.842 HG12 ' HG ' ' A' ' 104' ' ' LEU . 15.6 m -132.77 134.84 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . 168.16 -157.12 29.17 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.81 145.37 36.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 56.87 -147.58 33.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.94 -15.53 40.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.49 111.02 25.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 m -138.14 129.05 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -82.22 120.2 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 117.9 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 12.6 ptm -111.09 125.75 54.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 127' ' ' LEU . 26.7 m -117.94 146.03 44.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' TYR . . . . . 0.558 ' CZ ' HG23 ' A' ' 153' ' ' VAL . 2.4 t80 -121.75 132.48 54.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.679 HG22 HD22 ' A' ' 127' ' ' LEU . 1.7 pt -119.07 99.91 50.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.99 167.66 25.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.443 2.095 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 142.41 -85.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.0 165.31 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -60.24 -67.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 60.21 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -108.14 35.4 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.42 36.74 89.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -136.36 44.58 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 143' ' ' TYR . 5.4 m -121.03 102.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.03 137.2 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -110.74 122.04 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.97 156.89 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.87 136.95 11.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.76 119.77 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 39.2 ttt180 -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PHE . . . . . 0.44 ' HB3' HD11 ' A' ' 26' ' ' LEU . 11.3 t80 -130.44 147.0 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -96.77 133.46 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.23 161.1 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.95 149.74 27.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 87.9 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -124.47 103.82 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -174.02 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.66 137.06 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.63 117.75 10.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -107.35 109.13 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.869 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -161.51 -46.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.68 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.07 -57.08 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.12 -25.94 65.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.715 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -70.05 -49.63 49.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -35.07 74.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -60.13 -31.76 70.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -77.11 -38.0 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 14' ' ' ILE . 28.3 m-85 -75.06 -36.74 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.45 97.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.16 -35.13 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.36 -50.29 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 10' ' ' PHE . 8.3 tp -66.48 -37.89 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.4 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -73.52 -58.38 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -35.12 74.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -74.13 -30.73 62.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.21 -76.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -66.58 111.8 7.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' HD21 ' A' ' 58' ' ' LEU . 38.6 Cg_exo -57.33 126.69 22.82 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.424 2.083 . . . . 0.0 112.272 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -74.95 -31.66 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -145.29 160.95 40.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.85 113.94 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -118.8 150.29 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.56 134.62 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -111.01 119.55 39.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 pt -138.52 154.11 73.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.57 178.47 3.81 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.606 2.204 . . . . 0.0 112.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -122.18 100.07 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 31' ' ' ILE . 2.2 pp -157.28 123.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -152.75 36.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -162.94 77.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -35.65 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.2 -27.31 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.48 36.59 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -151.96 76.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.82 116.73 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -98.52 115.22 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.02 155.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -113.98 -55.93 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -176.37 76.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tttm 59.72 31.64 20.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.67 154.51 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.01 -47.41 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 60.34 163.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.52 131.84 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -83.13 126.24 32.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.95 127.61 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.1 89.32 38.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.12 105.39 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.496 2.13 . . . . 0.0 112.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -46.69 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.96 -178.89 43.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.409 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.05 -178.36 37.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -145.94 161.77 28.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -152.02 142.82 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.42 -155.26 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 21' ' ' PRO . 5.6 mp -131.98 177.17 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -143.41 140.39 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.7 ttm-85 -121.55 149.58 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -113.91 140.0 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -110.59 137.9 47.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.73 -20.15 32.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.392 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 26.08 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.696 0.284 . . . . 0.0 111.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.52 56.44 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.616 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -131.95 156.17 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 100.54 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -68.46 126.01 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.41 109.97 3.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.3 mp -123.9 119.89 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -152.95 158.56 42.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.95 109.89 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.683 ' HB2' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -93.44 168.97 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.3 138.06 13.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -107.97 107.0 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.93 97.03 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -108.61 147.29 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -30.18 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -110.15 36.34 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -156.12 -83.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.09 162.06 0.34 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -115.06 121.33 42.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -142.45 124.99 9.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.73 166.0 15.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.403 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 73' ' ' MET . 41.8 pt -156.12 140.08 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.0 140.79 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.38 165.34 29.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.638 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -144.27 152.98 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -161.18 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -142.95 150.01 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -107.38 119.4 39.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.4 p -98.59 141.17 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -151.99 144.78 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -100.51 142.69 25.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 45.3 Cg_exo -56.21 -165.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.477 2.118 . . . . 0.0 112.322 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.1 tt -112.31 31.07 6.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.87 -59.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.66 129.55 52.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.76 36.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 69.5 m-20 -127.42 -46.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -68.2 132.32 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -98.61 135.55 39.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 132' ' ' VAL . 1.6 mt -145.29 119.53 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.57 174.56 31.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.906 HD23 ' HB2' ' A' ' 130' ' ' ALA . 8.0 mt -144.85 156.29 43.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.48 -162.07 27.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.73 147.3 48.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.723 ' OG1' HD13 ' A' ' 129' ' ' LEU . 55.9 p -126.13 137.97 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 129.99 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.54 140.77 16.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 122' ' ' PRO . 29.2 t -118.87 124.43 73.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 m -115.06 134.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.32 145.81 24.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -134.78 135.92 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 60.23 175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -111.29 -37.85 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -71.9 -35.67 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -109.22 100.17 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -85.86 86.27 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.58 105.38 43.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HB2' HG13 ' A' ' 112' ' ' VAL . 41.4 Cg_endo -67.63 143.33 61.88 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.365 2.043 . . . . 0.0 112.245 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.77 86.07 2.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.1 128.97 13.56 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.592 2.195 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 125' ' ' VAL . 17.2 m -141.58 120.99 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 126' ' ' LEU . 4.3 pp -96.59 140.83 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 129' ' ' LEU . 1.7 mt -147.91 135.97 11.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 36.1 Cg_exo -60.87 139.56 85.73 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.408 2.072 . . . . 0.0 112.075 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.723 HD13 ' OG1' ' A' ' 109' ' ' THR . 1.8 mp -149.93 161.42 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.906 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -143.12 147.13 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.0 t -118.0 114.35 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.656 HG23 ' HG ' ' A' ' 104' ' ' LEU . 10.6 p -143.98 124.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.17 -163.7 27.3 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.572 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 101' ' ' ASN . 9.8 t80 -144.61 141.47 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.36 -142.59 42.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.87 -21.8 43.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.085 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.58 128.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.1 m -132.73 126.29 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -93.04 124.99 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -108.6 121.09 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 15.1 mtt -107.48 147.73 30.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 62.3 m -130.02 137.74 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -119.01 148.66 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 pt -107.63 141.82 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.51 170.04 21.16 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.502 2.135 . . . . 0.0 112.266 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.15 -177.33 29.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.6 t -90.25 109.76 20.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.11 31.2 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -97.2 83.0 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -139.98 109.22 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.59 28.02 13.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.09 -48.59 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.39 124.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.12 140.89 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.91 135.75 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -107.33 151.62 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -146.18 152.94 40.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.49 124.24 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -119.44 106.11 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.68 140.0 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.31 118.78 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -127.92 160.71 31.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp -153.64 147.85 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -107.96 114.19 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.69 -31.93 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -97.44 37.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -100.1 36.2 1.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -151.57 123.65 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -82.07 164.7 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.783 0.325 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.54 -56.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.89 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.366 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -77.07 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.76 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' THR . 3.5 tt0 -70.49 -25.93 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.763 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -72.89 -31.81 64.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -48.14 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 5' ' ' GLU . 10.2 t -59.4 -41.32 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' GLU . 22.4 p -61.76 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -41.35 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -75.68 -38.24 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -61.63 -57.0 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -65.59 -33.82 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.08 -29.44 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -79.06 -30.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -70.78 -32.04 69.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -93.27 -46.49 7.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -31.28 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.01 174.46 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.33 114.8 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.461 2.107 . . . . 0.0 112.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -99.44 -49.11 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 124.93 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -111.07 102.95 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.38 132.37 48.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 144.94 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 127.64 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.71 135.52 21.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.7 174.19 12.17 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.46 2.107 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.73 179.18 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 pt -100.05 140.06 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 t -117.6 151.11 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -110.9 92.47 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.63 113.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.44 -58.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -98.44 29.12 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 58.08 105.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.47 94.95 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -64.95 124.42 22.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.45 154.67 17.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.91 -58.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.43 38.1 19.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -111.06 -64.06 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -94.12 139.14 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 118.98 38.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.63 162.37 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -107.17 100.95 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -84.92 147.88 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -106.48 151.57 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -112.73 88.2 11.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.19 -29.73 26.12 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.518 2.145 . . . . 0.0 112.381 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m0 63.12 127.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.32 -157.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.46 161.86 34.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.96 149.96 18.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.81 134.51 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.11 -162.62 20.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.1 pt? -130.85 177.97 7.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -139.58 164.34 30.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.22 136.05 11.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -108.33 131.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -100.78 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -22.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -92.59 26.08 2.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.82 52.88 34.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.07 102.41 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -88.48 105.59 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.19 126.03 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.29 134.6 7.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.28 113.96 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -127.07 149.81 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.73 110.04 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 ttt -93.19 169.03 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.94 137.95 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -115.35 106.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -90.17 111.32 22.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.97 150.85 33.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -84.65 -17.02 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -52.87 -64.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -128.54 -76.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.57 169.24 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -72.41 151.06 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -115.06 124.93 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.38 147.4 22.81 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.472 2.114 . . . . 0.0 112.376 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' ILE . 1.4 tp -156.07 117.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.43 157.82 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.55 136.11 4.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -156.98 148.98 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.25 -168.93 35.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -107.75 149.89 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -140.94 145.27 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 p -121.56 103.69 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 93' ' ' THR . 9.9 t -77.97 119.06 20.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -113.28 153.82 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.61 137.86 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 -167.87 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.501 2.134 . . . . 0.0 112.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 138.04 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.54 31.15 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -168.9 122.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -106.44 -33.67 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -60.29 -31.19 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -82.67 132.68 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -121.23 138.32 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 104' ' ' LEU . 3.9 pp -150.44 122.98 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.31 -178.52 16.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.15 143.09 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -167.55 -174.93 37.03 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -114.16 146.97 39.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.84 114.45 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.44 121.18 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.446 ' O ' HG12 ' A' ' 125' ' ' VAL . . . -108.17 136.91 13.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.566 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.95 136.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.8 155.96 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.75 152.19 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -101.19 -179.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -79.91 -43.53 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.89 111.65 23.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -64.3 94.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -130.75 -48.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -105.8 168.46 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.9 pt -80.69 159.13 69.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.76 165.39 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.574 2.182 . . . . 0.0 112.254 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.01 86.39 53.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.03 156.6 55.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 111' ' ' GLY . 11.2 p -153.86 141.33 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.2 mt -93.64 134.68 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.8 99.87 4.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 141.86 42.32 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.556 2.17 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.749 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.0 pp -161.71 171.59 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.34 158.69 25.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -116.44 132.74 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.26 120.36 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.01 111.01 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.58 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.19 114.98 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.65 -150.89 30.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.13 -7.25 20.3 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.671 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 138' ' ' THR . 20.3 t -107.99 155.02 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.411 ' N ' HG12 ' A' ' 137' ' ' VAL . 2.7 p -136.28 138.3 41.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.71 145.97 47.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.481 ' CG ' HD13 ' A' ' 129' ' ' LEU . 32.8 tt0 -130.77 116.78 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mtt -104.62 135.94 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.749 HG23 ' HB3' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -103.55 146.03 29.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -129.86 134.66 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -124.34 110.78 28.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 145.46 58.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.388 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -106.25 45.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER 67.68 -69.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.424 ' CD1' ' HB ' ' A' ' 147' ' ' THR . 16.2 m-85 -105.93 29.27 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.63 88.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -175.28 138.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.93 90.66 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.583 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -64.28 167.81 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.87 132.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.17 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.06 150.34 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.81 134.96 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -143.34 140.07 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.4 ttm -96.94 146.61 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 144.92 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.84 122.72 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -100.93 119.34 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.02 152.56 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 tp -131.9 147.42 52.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -88.28 116.19 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.5 121.67 18.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.25 -62.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -176.73 128.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -107.06 123.87 48.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -166.43 32.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.29 82.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.26 -20.47 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.309 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.1 -57.02 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.632 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.09 -25.99 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.681 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.58 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.79 -31.52 72.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -51.11 27.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -63.29 -33.14 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.66 -39.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -63.63 -31.6 72.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.56 -31.46 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -71.2 -52.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -36.37 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.54 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.92 -41.67 70.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -82.74 -30.92 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.67 -31.87 57.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.22 -69.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.61 160.51 1.36 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.86 -178.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.629 2.219 . . . . 0.0 112.295 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -122.18 -52.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -77.94 128.3 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.476 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 5.8 m-85 -124.49 156.43 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.555 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.2 m-20 -121.21 142.89 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 25' ' ' ASP . 8.6 mp -131.68 126.41 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 126.32 52.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 tt -158.94 138.82 8.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.41 149.72 22.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.456 2.104 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.36 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 pt -100.63 134.35 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -152.23 -62.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.9 122.27 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.76 113.21 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 87.98 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -132.22 -46.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -77.13 -54.72 6.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.9 107.49 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -61.01 144.57 53.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -81.04 129.2 34.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -136.49 152.44 50.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.85 113.86 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.53 -47.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -96.32 170.73 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.12 175.3 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 60.49 158.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.29 157.61 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -97.25 137.18 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -107.46 115.65 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.55 146.95 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.4 -171.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.478 2.119 . . . . 0.0 112.246 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -130.84 127.0 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.33 120.7 3.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.97 147.27 10.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.87 173.47 35.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -152.02 148.95 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.84 -174.29 28.35 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.476 HD21 ' CZ ' ' A' ' 24' ' ' TYR . 19.4 mt -128.97 163.03 26.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.18 165.94 28.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -145.51 147.08 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -86.84 137.72 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.3 129.29 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.84 -23.58 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.513 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.88 26.08 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.29 51.73 54.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -131.44 157.12 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -126.42 96.89 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 1.1 m-70 -106.38 141.65 37.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.57 160.35 24.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.95 155.88 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.54 142.47 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.66 115.26 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 177.66 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.99 140.76 40.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.25 150.09 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -112.55 140.29 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.41 175.15 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -79.53 -30.16 41.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.13 29.91 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.65 90.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -156.74 76.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.63 117.02 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.53 134.02 25.05 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.64 163.53 31.6 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.511 2.141 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.52 119.27 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.55 125.8 43.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.78 141.71 11.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -155.44 148.3 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.85 -159.29 21.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 41.0 p-90 -138.37 149.83 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -138.48 146.41 42.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.08 100.25 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -90.84 144.32 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -131.36 142.96 50.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 142.58 56.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.49 ' HD3' HD21 ' A' ' 104' ' ' LEU . 88.7 Cg_endo -82.89 7.35 5.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.723 2.282 . . . . 0.0 112.85 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER 64.89 157.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.475 ' H ' HD13 ' A' ' 97' ' ' LEU . . . 62.37 31.05 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -155.71 -58.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 59.87 37.17 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -146.11 -50.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.95 152.98 44.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.484 ' C ' HD23 ' A' ' 104' ' ' LEU . 12.2 p-80 -131.69 128.08 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -149.77 131.88 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -172.37 -163.26 25.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.36 170.97 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.49 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.37 144.94 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.814 HG22 HD22 ' A' ' 129' ' ' LEU . 9.7 t -131.68 147.01 52.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.99 122.66 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.785 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -108.17 119.49 5.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 122' ' ' PRO . 21.4 t -118.24 117.61 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 m -107.28 122.44 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -117.28 158.85 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -121.6 121.46 37.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.8 -29.04 32.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -57.8 -42.09 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -176.39 93.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -176.52 126.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -83.11 -60.49 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.2 135.74 19.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.768 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 71.8 Cg_endo -74.55 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.37 2.047 . . . . 0.0 112.384 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.9 mt -123.49 86.42 52.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.83 148.99 41.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.589 2.192 . . . . 0.0 112.354 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 111' ' ' GLY . 22.7 m -153.95 160.24 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mp -130.18 132.92 46.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.538 HD22 ' CG2' ' A' ' 144' ' ' ILE . 4.1 pp -148.02 147.48 26.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.22 158.01 52.71 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.534 2.156 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.814 HD22 HG22 ' A' ' 109' ' ' THR . 2.5 pt? -165.85 160.89 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.05 143.51 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 m -113.84 120.79 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 104' ' ' LEU . 11.4 m -141.7 130.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -161.92 175.19 38.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.571 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 137' ' ' VAL . 12.8 m-85 -135.4 115.0 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.67 -119.02 15.63 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.562 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.06 -37.31 2.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.548 2.165 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 134' ' ' TYR . 16.8 m -75.43 135.48 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.126 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 159' ' ' ARG . 18.1 m -138.04 148.01 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -130.53 141.67 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.03 121.93 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -114.62 125.37 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.9 p -115.41 144.87 43.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -111.66 113.21 25.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 155' ' ' PHE . 1.7 pt -125.8 99.9 31.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 137.88 33.96 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.506 2.138 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.82 -94.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.0 p -88.78 177.05 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -103.0 157.88 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -162.7 -63.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.17 35.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.14 34.75 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -174.99 149.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 153' ' ' VAL . 28.8 m -121.36 110.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -106.88 134.61 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 144' ' ' ILE . 49.2 m-85 -107.45 116.1 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.9 146.1 28.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -141.92 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 145.2 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 138' ' ' THR . 0.1 OUTLIER -152.01 151.03 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.14 147.05 48.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.86 124.95 50.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.49 144.88 25.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.63 111.91 3.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.72 107.75 20.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -96.06 179.16 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.5 130.88 52.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -85.06 122.54 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -109.06 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.27 -48.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.851 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -175.67 151.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -18.39 58.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.448 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 8' ' ' THR . 71.0 m-20 -77.09 -57.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.602 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.89 -25.94 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -74.86 -40.48 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.5 mmt -76.36 -30.74 57.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 4' ' ' ASP . 17.4 p -59.17 -28.96 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 p -57.9 -34.79 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -45.4 41.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -35.18 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -39.18 84.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.36 -47.23 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.75 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.91 -36.79 72.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.85 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -81.86 -39.45 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -53.42 14.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 60.42 54.42 3.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.84 113.57 3.43 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.511 2.14 . . . . 0.0 112.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -167.29 33.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -94.07 135.44 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.18 113.95 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -105.26 134.66 48.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.37 137.68 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 121.08 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 tt -140.69 126.62 11.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.85 121.67 8.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.77 144.21 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -99.88 142.93 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -133.41 118.73 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 60.97 111.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -123.5 145.46 48.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.95 176.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 37' ' ' PHE . 16.7 mtm180 -86.73 -71.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 38' ' ' ALA . 41.9 p90 -171.52 -48.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' CD2' ' A' ' 37' ' ' PHE . . . -97.81 143.65 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.32 117.87 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 165.54 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -65.96 -31.83 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -157.51 -63.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -60.77 121.02 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -123.52 -177.39 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -137.04 34.63 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.07 156.79 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.35 148.51 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -82.04 166.0 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.48 106.03 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -69.81 161.25 76.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.06 127.91 25.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.31 29.29 8.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.2 -112.7 4.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.601 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.96 150.28 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.75 149.83 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.35 144.29 9.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -111.86 155.68 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.89 141.45 40.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -147.22 118.22 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.92 135.89 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 122.33 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.55 -21.83 18.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.393 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 26.12 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.234 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.17 52.13 38.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.56 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.03 154.68 49.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 115.44 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -110.12 132.63 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.12 127.34 3.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.17 153.69 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -126.91 118.05 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.05 110.06 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.679 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.4 tpp -114.01 163.63 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.1 138.19 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -130.15 153.03 48.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' CE2' ' A' ' 82' ' ' TRP . 10.0 tttp -98.45 102.87 14.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.15 156.85 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 t -70.43 -30.05 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -67.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -176.79 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.5 177.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 82' ' ' TRP . 6.4 m95 -112.89 147.59 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.53 124.83 65.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.88 150.17 20.82 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.157 . . . . 0.0 112.407 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 73' ' ' MET . 24.2 mt -141.93 116.99 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.03 157.93 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.95 162.21 27.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -143.13 133.83 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.31 169.4 24.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.642 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -131.84 149.07 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.28 153.06 41.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.4 m -103.71 132.25 50.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.47 134.6 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -151.93 139.08 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -120.51 101.89 45.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.39 -45.25 38.89 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.479 2.119 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.96 -179.23 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.94 41.48 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -107.69 -51.02 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.84 27.81 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 56.5 31.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.14 125.82 25.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -115.54 153.13 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 104' ' ' LEU . 10.1 tt -147.78 143.16 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.34 137.03 7.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -133.78 136.38 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.501 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 173.92 -166.54 38.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -126.02 159.59 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.5 p -132.85 146.98 52.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.11 113.95 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -102.63 124.25 8.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.504 HG12 ' CA ' ' A' ' 124' ' ' PRO . 17.7 m -115.98 131.39 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.1 p -135.48 154.01 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.79 159.01 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.79 -172.46 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -106.7 35.83 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -147.22 73.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 65.73 -76.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.95 -174.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.789 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.66 104.83 56.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.01 146.13 76.17 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.64 120.61 80.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.504 ' CA ' HG12 ' A' ' 112' ' ' VAL . 80.5 Cg_endo -78.01 166.0 25.49 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.132 . . . . 0.0 112.337 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.07 120.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tp -96.23 124.47 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.98 146.06 22.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.457 ' C ' HD12 ' A' ' 129' ' ' LEU . 59.6 Cg_endo -72.11 143.5 40.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.464 ' HG ' HG23 ' A' ' 142' ' ' THR . 3.5 mp -147.6 160.93 42.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -133.93 -176.57 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.4 p -170.32 157.55 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.94 123.38 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.02 113.13 4.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -129.63 114.92 16.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.14 -149.49 30.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.596 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.64 -10.84 27.27 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.609 2.206 . . . . 0.0 112.598 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.8 m -104.65 155.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.1 125.74 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.471 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -106.54 138.62 42.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.69 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.6 mtt -107.06 155.99 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' HG ' ' A' ' 129' ' ' LEU . 10.3 m -129.85 136.61 49.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.61 122.37 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.39 99.87 12.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.73 125.94 10.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.443 2.095 . . . . 0.0 112.325 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.12 172.12 41.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 t -105.42 77.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.15 -179.07 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -72.43 -34.84 68.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -106.64 -48.42 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.32 33.55 77.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.99 91.88 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.39 132.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -124.45 133.41 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.87 140.01 38.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.471 ' HB1' ' HE1' ' A' ' 139' ' ' PHE . . . -118.89 136.86 53.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 119.1 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.0 141.52 28.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 153.98 42.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.95 129.35 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.84 128.16 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.45 146.13 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.05 157.42 18.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.93 142.27 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.51 153.47 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -90.93 150.2 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -106.02 127.41 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -111.74 -60.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -124.77 79.89 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.822 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.874 0.368 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.66 29.1 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.8 -19.75 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.05 -57.09 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.76 -25.9 64.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.761 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -71.79 -30.19 65.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 tpt -59.37 -30.13 68.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 p -58.66 -36.06 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 m -75.52 -41.87 54.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -69.76 -31.04 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -56.12 -30.53 62.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -42.35 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.43 -41.88 84.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.85 -30.3 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.4 41.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.77 -44.86 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.9 m -59.44 -39.16 82.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -65.85 -40.21 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.84 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.07 90.63 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.574 2.182 . . . . 0.0 112.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -134.26 31.34 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -65.02 137.8 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -106.94 122.02 45.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -117.13 115.94 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tt -103.02 119.32 38.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -113.2 150.75 31.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.12 153.54 29.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.92 -168.15 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.159 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.54 -169.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 tp -157.72 143.35 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.09 92.38 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.41 124.31 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -170.59 -48.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.41 -35.78 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 60.72 31.69 20.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -159.47 86.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.3 124.2 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.43 153.62 38.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.76 120.22 41.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -159.42 177.2 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.55 152.72 36.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 64.22 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -174.1 149.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.93 -38.17 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -177.42 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -123.02 162.98 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -112.99 129.81 56.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -81.76 166.01 20.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -84.53 131.83 48.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.26 -171.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.456 2.104 . . . . 0.0 112.311 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.93 49.0 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.95 171.73 4.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.558 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.2 141.41 3.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.16 -174.24 24.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -127.14 174.11 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.41 153.88 25.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.52 177.95 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -144.15 150.49 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -151.22 139.47 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -91.04 131.26 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -108.95 127.8 54.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.39 -22.22 11.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -91.22 26.09 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.255 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.45 51.28 53.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.5 m120 -131.99 157.01 45.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -131.01 90.14 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -70.39 137.21 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.72 131.73 6.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -88.36 142.55 27.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.684 ' N ' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -124.5 118.33 26.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.32 109.97 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.13 178.05 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.45 138.02 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 83' ' ' GLU . 16.8 p90 -113.15 122.23 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 140.41 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -120.01 169.19 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -71.16 -29.35 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -119.16 -42.06 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.39 119.34 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -53.95 140.96 29.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -59.95 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mm-40 -146.2 124.97 6.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.39 169.63 16.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.476 2.117 . . . . 0.0 112.417 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' ILE . 18.7 tt -155.91 123.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -123.65 144.36 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.24 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.34 177.17 43.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CE2' HD23 ' A' ' 70' ' ' LEU . 11.0 m-85 -119.31 151.49 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.03 157.61 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -114.52 147.27 39.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -146.94 152.97 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -129.21 114.1 15.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 p -81.61 143.77 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.88 154.35 50.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -97.13 144.74 28.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.03 -167.69 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.5 2.134 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -122.97 -43.83 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.79 42.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.58 156.63 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -116.75 -34.48 4.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.05 35.35 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -124.06 140.6 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -123.87 144.58 49.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.04 129.43 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -161.56 178.12 37.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -142.39 168.56 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.59 -173.34 44.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -130.16 137.44 50.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.598 ' OG1' HD21 ' A' ' 129' ' ' LEU . 59.8 m -112.51 130.08 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -113.75 114.04 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.13 143.98 15.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.22 127.56 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 m -103.68 113.93 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -128.84 122.62 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -69.83 151.59 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.69 -30.96 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 36.96 2.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -151.65 -177.91 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.86 -162.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.799 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 71.12 157.38 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.905 0.383 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.4 pp -71.89 153.48 92.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 121' ' ' ILE . 35.8 Cg_endo -65.1 -173.76 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.569 2.179 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 125' ' ' VAL . 7.8 tt -128.01 98.98 26.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.62 153.6 64.86 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.384 2.056 . . . . 0.0 112.224 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.437 HG13 HD23 ' A' ' 123' ' ' LEU . 10.5 m -153.97 129.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 5.6 mp -112.8 129.28 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 2.7 mt -138.18 125.14 13.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 39.2 Cg_exo -60.78 153.62 61.32 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.411 2.074 . . . . 0.0 112.188 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' OG1' ' A' ' 109' ' ' THR . 1.1 pt? -165.18 159.75 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.88 162.9 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.98 118.04 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.01 124.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.38 -167.98 41.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -145.93 146.96 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.23 -146.26 36.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.42 -17.35 44.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.3 113.61 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 127.83 34.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.42 130.71 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 115.98 28.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.9 mtt -101.34 126.53 48.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -117.23 140.05 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -109.49 159.05 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 144' ' ' ILE . 11.4 tt -134.15 100.0 13.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.27 139.61 53.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -139.01 111.6 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 148' ' ' TYR . 6.5 m -94.3 133.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 147' ' ' THR . 71.0 m-85 60.36 31.63 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -146.08 -169.99 3.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -167.14 160.21 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.97 29.25 4.4 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.96 115.34 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.5 m -107.71 129.95 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.76 137.59 55.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -106.01 119.61 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.71 133.01 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -129.2 144.21 51.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 23.1 mmm -92.73 147.88 22.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -137.8 135.71 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -117.92 146.94 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.26 140.47 36.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.99 118.65 14.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 163' ' ' LEU . 1.0 OUTLIER -100.6 148.69 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -94.35 107.47 19.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.977 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -131.82 177.12 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -142.96 140.24 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -100.45 99.59 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 114.01 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 141.48 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.2 m80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -177.53 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -21.86 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.455 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -56.99 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.6 -25.76 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.433 ' O ' HG22 ' A' ' 9' ' ' THR . 1.6 t-105 -76.29 -34.44 59.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 ttm -63.78 -38.5 91.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -43.05 92.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 6' ' ' TRP . 10.3 t -78.03 -31.42 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -74.98 -30.95 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -57.99 -35.11 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -78.89 -31.27 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -72.68 -48.19 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 10' ' ' PHE . 4.7 mt -63.35 -46.32 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -67.08 -47.28 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 m -64.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -46.31 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -70.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 58.62 80.46 0.28 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.21 90.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.327 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.31 82.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' HB3' HD23 ' A' ' 163' ' ' LEU . 29.0 p80 -151.93 152.91 33.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -84.17 143.34 29.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -122.89 126.49 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 132.89 55.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.44 113.55 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' CE ' ' A' ' 158' ' ' MET . 9.6 mt -129.73 136.02 28.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.51 101.16 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.431 2.087 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.26 179.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 31' ' ' ILE . 2.8 pp -132.96 158.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.022 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -150.17 167.57 26.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -108.74 104.41 13.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 121.47 24.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.34 152.09 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -72.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.08 86.69 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.79 148.46 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -107.58 113.8 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.88 107.95 16.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -151.2 31.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -134.6 176.08 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -106.43 31.92 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -103.95 148.91 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -151.15 83.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.01 31.96 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -75.29 119.85 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.37 149.16 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -98.67 152.3 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -134.76 139.9 33.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.83 136.39 32.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.469 2.113 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -97.86 36.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 -81.98 1.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 -158.85 51.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.96 147.87 19.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.548 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 p90 -150.58 146.14 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.71 -144.97 5.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.73 169.08 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.71 140.9 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -109.39 147.6 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -113.43 144.67 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -124.94 130.67 52.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -56.28 -20.5 18.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.483 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -90.76 26.08 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.669 0.271 . . . . 0.0 111.287 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.59 54.25 27.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.584 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.12 114.76 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -104.89 97.7 7.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.97 148.9 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 121.66 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -132.04 123.57 27.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -152.98 132.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.97 118.35 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.94 143.33 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.22 139.01 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -105.99 108.91 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -83.09 135.99 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -92.63 -179.13 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.7 p -76.58 -31.18 57.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -112.79 -70.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -168.7 93.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.23 52.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -61.81 125.51 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -99.68 125.06 41.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.08 126.25 9.8 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.503 2.136 . . . . 0.0 112.318 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 86' ' ' ALA . 23.5 mt -149.67 154.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 85' ' ' ILE . . . -136.75 152.4 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.27 135.96 5.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.537 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -156.94 145.09 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.21 -172.9 32.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 22.0 m0 -101.1 149.99 23.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.41 131.55 30.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.54 111.3 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -95.47 142.55 27.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -123.42 126.79 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 2.5 ptt85 -124.47 101.82 33.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.626 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.0 Cg_exo -53.93 -49.31 17.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.457 2.104 . . . . 0.0 112.261 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 96' ' ' PRO . 5.9 mp -128.71 -50.72 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 95' ' ' ARG . . . 60.9 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.37 -57.09 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.09 -74.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -176.11 37.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -102.82 125.27 49.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -133.07 149.01 52.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.56 123.84 15.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.56 -159.48 9.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.84 160.2 35.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.7 -170.29 26.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 90' ' ' TRP . 17.4 p90 -142.1 123.25 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.513 HG23 HD11 ' A' ' 129' ' ' LEU . 26.0 p -103.12 131.7 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.63 116.51 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.09 150.64 19.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.65 130.96 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 123' ' ' LEU . 2.8 t -135.1 110.25 8.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -108.0 138.25 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 110.82 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.49 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.68 37.27 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -159.96 -45.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.673 ' HB3' HD12 ' A' ' 121' ' ' ILE . 15.0 m120 -93.86 -178.65 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -133.02 37.68 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 119' ' ' ASN . 3.2 mp -119.84 92.92 47.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 55.8 Cg_endo -70.29 -168.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.547 2.165 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 4.0 tp -123.26 88.15 51.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 150.5 49.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.64 2.227 . . . . 0.0 112.312 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.98 123.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.55 139.41 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.405 HD21 ' CG2' ' A' ' 142' ' ' THR . 6.0 tp -148.03 108.05 3.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.487 ' C ' HD13 ' A' ' 129' ' ' LEU . 95.7 Cg_endo -80.05 144.06 16.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.544 2.163 . . . . 0.0 112.635 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.36 -178.96 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -116.71 144.18 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -110.21 126.67 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.93 114.97 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.65 111.01 4.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.55 114.96 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.823 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.23 -150.65 40.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -3.32 13.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.691 2.261 . . . . 0.0 112.75 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 138' ' ' THR . 21.3 t -116.02 155.09 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 111.211 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -126.11 144.61 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.43 145.97 48.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -132.69 152.38 51.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.93 118.46 21.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.405 ' CG2' HD21 ' A' ' 127' ' ' LEU . 23.8 m -93.97 116.87 29.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -141.78 121.78 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.8 mt -104.82 99.98 21.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 134.29 27.41 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -145.39 168.48 27.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.4 t -116.2 118.21 32.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 60.38 33.29 20.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.74 -43.19 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 60.55 175.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.12 42.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -81.83 120.84 25.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.58 123.25 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.76 115.47 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.04 139.93 38.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.73 140.22 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -129.93 147.27 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 28' ' ' ILE . 1.7 ttp -110.88 138.38 47.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.5 144.0 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -127.98 146.89 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -124.75 131.01 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.39 119.2 38.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 23' ' ' HIS . 4.1 mt -132.97 162.51 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -117.91 126.04 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -100.97 30.66 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 4.2 m80 59.88 108.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -54.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -87.87 139.14 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.71 36.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.0 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.845 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 mtt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 60.52 95.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -21.08 58.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.342 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.17 -49.92 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -79.72 -25.87 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -68.34 -32.45 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -77.92 -31.13 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 p -69.21 -42.1 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -34.76 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.97 -31.02 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -56.34 -31.2 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -36.95 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 17' ' ' THR . 44.3 m-20 -70.41 -45.36 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.3 pt -65.22 -35.97 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.98 -56.73 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -56.22 -48.0 77.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ASN . 73.2 p -62.83 -29.74 70.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -59.44 -55.19 37.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -75.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.28 -60.84 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.51 152.48 38.5 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -110.02 -31.91 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' HD23 ' A' ' 58' ' ' LEU . 13.2 m-70 -152.44 179.98 8.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.43 143.31 50.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -136.0 163.37 30.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -134.77 133.95 40.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.77 114.37 22.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.33 151.75 72.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.19 149.93 20.73 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.562 2.175 . . . . 0.0 112.369 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.04 79.33 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 tt -122.71 134.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 t -67.74 113.81 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -106.04 31.43 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -72.96 -61.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.25 133.95 51.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.41 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -171.41 75.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 93.08 5.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.55 86.88 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -69.08 142.69 54.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 -41.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.02 107.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -104.23 -37.35 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 t -126.27 36.22 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.38 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -129.51 -47.58 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.48 162.31 8.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -106.98 165.65 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -81.74 153.24 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -87.35 162.46 42.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.37 -60.88 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.556 2.171 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.414 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.1 OUTLIER 60.27 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.9 165.42 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.45 45.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' HD13 ' A' ' 26' ' ' LEU . . . -178.53 -175.7 45.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.69 174.04 11.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.46 163.78 29.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 70' ' ' LEU . 7.2 mt -128.96 178.01 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 151.46 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.78 169.85 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 67' ' ' TRP . 43.3 m95 -110.62 138.83 46.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -114.62 126.14 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.63 -21.83 11.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.45 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 26.05 2.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.265 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.59 65.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.399 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -132.02 157.09 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.318 . . . . 0.0 111.007 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 61' ' ' TRP . 24.2 m95 -118.58 98.63 6.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -68.03 142.94 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.51 125.09 2.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 58' ' ' LEU . 7.4 tt -89.83 150.42 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' N ' HD23 ' A' ' 70' ' ' LEU . 65.8 m-85 -139.99 120.85 14.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 110.01 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.3 mtt -117.34 162.34 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.12 137.94 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.11 157.07 35.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.38 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.58 151.04 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -79.09 -3.22 44.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -139.44 -47.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -83.8 -171.33 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -172.33 2.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -62.42 128.23 35.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -100.64 124.93 40.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.28 163.07 25.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.406 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -147.94 117.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -97.34 148.31 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.39 145.37 11.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.483 ' HE1' HD12 ' A' ' 70' ' ' LEU . 63.0 m-85 -156.89 116.19 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.41 169.03 25.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.622 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -121.56 121.78 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -111.57 153.02 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.44 121.36 44.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 t -74.08 145.32 44.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.91 107.91 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -109.36 146.9 34.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 179.52 5.32 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.473 2.115 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 tp -106.75 63.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.44 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -106.86 131.98 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.39 34.3 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -107.71 -51.54 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.43 118.95 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -106.18 134.48 49.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.98 135.42 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.6 130.97 5.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.4 OUTLIER -148.21 128.4 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 178.7 -159.94 25.4 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.562 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 126' ' ' LEU . 55.6 m-85 -113.79 162.82 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.3 m -139.28 118.07 12.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 114.07 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -124.84 156.9 18.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 86' ' ' ALA . 5.1 m -116.0 140.13 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 135.43 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.4 139.89 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -174.79 91.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.46 -174.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -92.75 -52.52 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -98.18 105.76 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.82 108.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -132.37 -69.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.45 139.2 34.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 177.97 8.07 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.541 2.161 . . . . 0.0 112.393 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -113.34 89.16 14.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.98 152.22 73.34 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 m -150.03 123.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -115.97 123.69 48.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 127' ' ' LEU . 2.1 mp -146.43 156.55 49.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.9 147.77 94.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.571 2.181 . . . . 0.0 112.154 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.33 148.21 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.64 133.75 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.9 p -117.11 150.4 38.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.3 118.81 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.03 114.14 4.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.89 114.96 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.52 -150.49 38.04 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.74 -5.99 17.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.645 2.23 . . . . 0.0 112.731 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.3 m -112.34 155.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.68 125.15 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.39 143.6 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.14 147.29 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 28.7 mtt -154.98 133.76 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.7 t -114.58 135.46 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.91 157.59 17.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 tp -100.64 133.01 21.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.2 132.25 20.68 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 145.7 146.65 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.476 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.14 33.73 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.44 167.47 2.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.63 118.69 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.4 170.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.95 28.51 56.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.25 149.72 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.73 129.45 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -111.82 138.31 48.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -104.07 133.65 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.75 168.02 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.97 162.31 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.3 mmt -110.41 138.44 46.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -129.44 152.35 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.54 141.76 46.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.26 118.22 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -105.1 124.67 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 164' ' ' GLU . 0.1 OUTLIER -116.82 144.18 44.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.548 ' H ' HD13 ' A' ' 163' ' ' LEU . 5.3 mt-10 -112.97 106.59 14.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -104.27 179.02 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -42.15 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -104.72 128.7 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.65 36.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -62.43 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.911 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttm . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.753 0.311 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -120.48 79.58 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.56 -22.67 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.482 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -76.95 -57.06 4.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.36 -26.0 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -78.98 -30.58 44.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -59.65 -39.97 86.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -30.89 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -68.98 -52.58 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -59.56 -30.54 68.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -45.44 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 3.0 m-80 -61.87 -41.14 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 10' ' ' PHE . 18.2 mt -73.14 -30.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.5 -55.09 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.82 -31.54 69.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 27.6 p -72.23 -30.02 64.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -75.22 -44.84 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -73.21 -19.95 60.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -54.39 -61.08 6.08 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.135 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 20' ' ' GLN . 54.5 Cg_endo -69.67 -167.83 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.484 2.123 . . . . 0.0 112.354 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 62.71 110.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -143.29 135.59 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -90.22 135.46 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.67 121.39 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.43 129.42 55.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -124.98 112.98 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -139.97 138.78 20.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.8 161.61 4.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.066 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.61 -31.13 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -106.74 131.35 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.44 -69.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -168.31 143.25 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -103.54 110.29 22.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.27 -42.39 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 60.71 34.23 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -124.56 31.7 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.4 118.62 13.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.08 128.26 33.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -72.27 97.97 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -156.17 -65.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 60.26 105.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 167.64 26.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 m -127.08 141.96 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.99 -176.65 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -70.37 -34.55 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 55.7 p90 -83.68 121.59 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.89 155.48 23.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 135.39 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -104.02 90.62 3.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.16 135.22 33.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.493 2.128 . . . . 0.0 112.386 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -122.98 26.36 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.38 54.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.82 176.78 47.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.25 161.33 26.02 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -149.01 139.59 22.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.95 -164.79 30.81 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.13 178.04 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -154.49 170.76 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 138.05 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -103.83 136.05 44.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.5 120.69 42.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.36 -23.24 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -26.11 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 42.5 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -132.03 155.2 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -140.18 101.45 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -98.96 137.29 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.66 124.35 2.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.646 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 88' ' ' TYR . 4.9 tp -121.2 128.87 52.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.651 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 p90 -158.19 166.04 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . . . -108.6 109.91 21.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.7 ttt -99.21 171.97 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.636 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.53 137.96 4.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.368 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -128.21 106.9 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.482 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 82' ' ' TRP . 35.3 mttm -125.51 129.02 48.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.51 -169.29 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -86.8 -28.94 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.28 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -106.03 -159.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.24 27.57 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -64.51 157.3 27.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -154.27 157.26 32.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.185 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.68 153.46 26.37 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.411 HG22 ' OG1' ' A' ' 113' ' ' THR . 2.1 pp -156.05 133.8 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.211 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 72' ' ' ALA . . . -135.62 158.04 45.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 -162.39 36.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.529 ' HB3' HD12 ' A' ' 70' ' ' LEU . 31.5 p90 -131.47 153.01 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.38 130.8 6.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -108.82 137.75 46.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -154.98 153.07 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -100.75 122.04 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -93.78 147.74 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -144.69 148.25 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 101.95 48.91 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -46.29 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.11 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.53 178.45 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.48 37.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.18 -66.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -141.56 -47.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -176.61 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.99 103.29 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -99.66 134.07 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.681 ' HG ' HG13 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -152.52 116.0 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.1 175.02 34.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' A' ' 130' ' ' ALA . 3.2 mp -142.84 169.33 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.25 -161.34 30.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -133.68 132.92 41.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -96.14 120.66 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.3 125.24 46.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.08 162.3 23.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.7 m -146.13 143.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.228 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 85' ' ' ILE . 29.2 m -112.44 125.47 54.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.64 143.44 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -90.28 -179.35 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.84 -35.34 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -76.24 -27.8 56.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 63.79 91.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.61 139.74 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 60.19 -177.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.5 pp -71.98 148.03 91.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.636 ' O ' HD12 ' A' ' 121' ' ' ILE . 56.0 Cg_endo -70.37 -168.06 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.617 2.212 . . . . 0.0 112.288 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.2 90.6 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.06 149.14 71.05 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.498 2.132 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 144.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mp -136.91 126.15 24.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -133.84 133.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.37 126.02 9.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.759 HD11 HD12 ' A' ' 127' ' ' LEU . 3.4 mp -129.83 170.88 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.439 ' HB2' ' HG ' ' A' ' 106' ' ' LEU . . . -141.94 123.4 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -90.94 114.05 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.681 HG13 ' HG ' ' A' ' 104' ' ' LEU . 21.4 t -143.72 122.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.89 -168.29 40.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.98 147.09 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.49 -148.31 44.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.24 -11.28 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.599 2.199 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.32 128.77 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.01 131.38 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -102.19 138.66 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -114.41 139.3 49.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.4 tpp -121.09 118.87 30.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.54 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -150.52 124.14 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 144' ' ' ILE . 3.8 mp -86.14 122.92 72.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 169.85 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.464 2.11 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.5 135.2 4.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 79.13 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.92 141.3 40.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.79 37.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -163.69 115.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 98.1 29.65 7.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.0 90.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 153' ' ' VAL . 27.0 m -98.57 120.98 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -127.7 124.04 36.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.62 151.77 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.4 139.59 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 129' ' ' LEU . 9.5 m0 -121.19 165.7 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.2 mtt -104.83 145.54 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -129.84 135.09 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.2 124.14 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -98.69 113.04 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -94.43 137.27 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 163' ' ' LEU . 13.1 tp -144.38 163.24 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.52 139.79 49.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -110.85 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -171.87 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -59.95 177.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -159.56 31.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 55.0 m80 60.4 107.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 68.7 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.924 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mtt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.786 0.326 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -116.75 142.28 47.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.55 -21.34 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.349 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.04 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 9' ' ' THR . 1.5 mp0 -70.4 -26.01 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.32 -43.54 70.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.08 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -59.58 -39.61 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 5' ' ' GLU . 69.7 p -69.76 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.81 -38.07 89.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -70.96 -31.3 67.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.61 -56.99 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 pt -70.47 -34.11 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.46 94.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -33.5 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 m -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -73.83 -29.24 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -59.59 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -121.97 84.09 44.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.49 151.71 17.78 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.577 2.185 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -94.3 -68.96 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -158.96 170.42 22.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -115.17 140.98 48.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -141.18 124.49 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -102.21 146.64 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 124.98 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.5 149.57 44.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 177.65 5.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 31' ' ' ILE . . . -119.42 -41.42 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 30' ' ' ALA . 3.9 mp -117.31 142.39 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -82.35 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.1 126.04 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 171.01 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.94 132.48 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.58 155.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.41 100.23 9.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.03 151.92 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.79 103.37 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -113.08 141.05 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -91.25 -44.09 9.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 60.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -112.84 -171.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.486 HG22 ' H ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -62.12 -177.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 44' ' ' THR . 1.4 m-20 62.02 116.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -98.92 32.4 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.39 96.96 7.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -89.83 135.55 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.66 151.51 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -139.55 79.23 24.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.67 -174.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.322 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -133.0 124.52 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.7 172.95 23.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.56 166.63 18.05 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.15 141.86 13.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.42 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 7.4 m-85 -148.0 153.62 39.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' HD12 ' A' ' 58' ' ' LEU . . . 172.89 -166.54 39.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.8 mp -135.16 176.53 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 142.48 43.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -107.03 142.08 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -108.32 135.95 48.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 2.8 t0 -110.23 130.77 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -14.82 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.498 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.88 26.03 2.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.745 0.307 . . . . 0.0 111.308 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.8 48.22 28.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.661 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.06 154.05 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.73 103.08 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 70' ' ' LEU . 1.3 t-80 -81.4 126.0 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.25 109.92 2.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.571 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 68' ' ' HIS . 4.2 mp -123.46 130.26 52.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.06 156.82 42.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.21 113.67 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.426 ' HG3' HD12 ' A' ' 85' ' ' ILE . 5.0 ptt? -111.53 154.1 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 152.38 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -138.05 155.7 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 97.0 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -173.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.4 m -81.59 -2.97 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.428 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.2 20.58 8.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.718 0.294 . . . . 0.0 111.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.2 m120 54.3 30.52 12.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.18 45.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -87.29 113.14 22.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.21 124.97 85.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.33 143.45 19.69 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.123 . . . . 0.0 112.405 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.426 HD12 ' HG3' ' A' ' 73' ' ' MET . 22.7 mt -134.9 116.99 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.41 139.91 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.02 136.02 5.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.37 -179.47 42.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -122.96 145.51 48.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.82 153.0 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 t -113.01 128.29 56.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.96 136.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -148.58 159.0 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -130.62 148.05 68.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HG2' ' CE1' ' A' ' 102' ' ' PHE . 50.5 Cg_exo -53.66 -172.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.586 2.191 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tp -102.77 31.82 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.98 -64.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.67 170.82 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -109.96 54.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -102.42 -49.54 3.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 96' ' ' PRO . 45.9 p90 -111.47 136.26 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -116.47 162.14 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.72 124.62 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.68 147.81 18.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.53 126.66 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.54 -160.02 23.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 149.04 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -132.79 117.18 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.83 139.16 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 176.38 21.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.04 137.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.282 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.44 137.44 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.77 123.04 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -169.68 117.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.56 171.0 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.86 -68.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -76.81 -67.88 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -173.51 142.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -171.27 169.59 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 tp -93.43 135.09 25.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.61 167.44 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.592 2.195 . . . . 0.0 112.081 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.03 88.5 5.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.19 131.11 10.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.619 2.212 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.73 121.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.9 118.5 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.493 ' O ' HD12 ' A' ' 129' ' ' LEU . 16.0 mt -147.87 156.04 44.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.26 130.93 23.7 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.6 2.2 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.728 ' CD1' HG23 ' A' ' 142' ' ' THR . 6.4 mp -122.3 170.56 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -151.42 124.32 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m -123.35 162.04 23.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 139' ' ' PHE . 29.6 m -131.42 135.8 58.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.01 113.17 4.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.588 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.44 115.01 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.09 -150.24 40.44 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 -4.08 14.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.581 2.187 . . . . 0.0 112.791 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.636 HG12 ' CE2' ' A' ' 160' ' ' PHE . 29.6 m -114.49 155.09 15.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 111.236 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.4 m -134.03 108.17 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.457 ' HB3' HG22 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -71.03 146.0 49.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -136.18 160.06 39.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.816 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.94 158.49 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.728 HG23 ' CD1' ' A' ' 129' ' ' LEU . 3.1 m -132.0 126.16 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -148.16 140.87 24.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.458 HG13 HD22 ' A' ' 127' ' ' LEU . 3.7 mp -92.62 110.78 47.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -50.98 158.49 3.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.486 2.124 . . . . 0.0 112.383 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.4 -156.2 18.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.6 t -176.75 147.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -140.96 -47.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -162.9 -65.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -100.4 -35.2 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.62 27.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.48 -169.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.78 130.47 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.37 136.47 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -105.05 138.07 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.09 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.49 157.11 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 11.4 ttm -134.18 149.98 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -151.86 128.2 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PHE . . . . . 0.636 ' CE2' HG12 ' A' ' 137' ' ' VAL . 97.7 m-85 -100.89 146.98 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -110.71 130.2 55.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.25 138.49 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -150.68 167.88 26.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -125.93 89.5 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.4 143.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.34 -56.39 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.75 36.08 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -144.98 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.1 m170 60.43 96.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.828 0.347 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -149.08 127.43 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.31 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.96 -57.12 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.693 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 8' ' ' THR . 4.4 mt-10 -69.72 -25.9 64.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -74.73 -32.19 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mtt -78.11 -46.52 20.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 5' ' ' GLU . 9.3 t -59.39 -46.94 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 8' ' ' THR . 10.7 t -59.84 -44.26 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 9' ' ' THR . 1.2 t80 -68.67 -46.09 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -34.86 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.03 -34.48 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 17' ' ' THR . 5.7 t-20 -67.43 -52.04 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -64.19 -33.2 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.065 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 13' ' ' ASN . 3.5 t -58.63 -30.43 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -58.77 -60.81 3.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.73 75.95 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 172.06 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -95.86 -46.61 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -145.6 126.83 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -79.32 133.52 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.84 150.37 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' CE1' ' A' ' 162' ' ' PHE . 1.3 tt -133.39 125.32 28.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -91.83 114.41 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 HD22 ' A' ' 26' ' ' LEU . 2.8 pp -146.57 155.07 49.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.13 177.41 3.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.6 -69.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 32' ' ' THR . 4.2 pt -126.24 169.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' ILE . 6.9 p -161.46 108.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.5 m0 60.69 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -126.65 80.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.9 131.82 55.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.0 35.12 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.89 145.11 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.04 -172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 21.5 p90 -121.34 96.33 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.74 132.6 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -78.59 97.83 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -123.34 -45.5 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 165.28 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 t -151.53 168.17 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.08 -171.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 63.67 101.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.4 140.08 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -120.97 145.09 48.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.76 151.64 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -90.49 106.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.35 157.58 61.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.45 2.1 . . . . 0.0 112.24 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -112.31 179.55 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.76 100.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.56 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.91 -157.33 26.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 26.7 m-85 -136.48 174.03 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.53 170.57 43.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mp -127.28 177.89 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.15 157.39 43.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -145.49 149.84 35.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -94.74 139.74 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -114.6 127.11 55.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -51.36 -23.36 3.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.625 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 26.11 1.8 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.68 0.276 . . . . 0.0 111.312 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.27 48.13 87.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.0 130.19 41.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -108.29 99.29 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 138.54 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.75 120.19 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.542 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 70' ' ' LEU . 3.8 pp -123.7 120.97 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 27' ' ' TYR . 55.5 p90 -140.99 162.73 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.87 119.24 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ptp -117.6 172.54 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.09 142.4 26.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -112.31 126.21 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -122.03 115.71 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -175.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -31.26 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -83.45 -77.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -170.2 34.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.88 81.17 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -111.48 131.54 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.13 141.59 18.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.07 156.65 38.36 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.599 2.199 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.4 mt -150.36 124.27 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -114.47 157.91 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.6 136.76 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 70' ' ' LEU . 11.3 t80 -157.01 128.89 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.02 -159.66 15.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 51.4 p-90 -138.38 150.01 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.96 143.09 33.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 m -88.31 111.11 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 p -79.89 148.88 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.4 136.02 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -123.41 151.56 63.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 -23.02 28.76 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 0.0 112.415 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.06 79.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.54 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -109.56 -25.82 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 63.69 79.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -152.72 -46.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.31 111.0 21.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.76 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 132' ' ' VAL . 3.9 pp -111.24 148.09 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.633 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -154.6 161.14 30.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 tt -159.62 140.74 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.56 -159.98 23.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 6.8 m-85 -120.32 149.32 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.518 HG21 HD21 ' A' ' 129' ' ' LEU . 68.7 p -129.94 136.56 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 114.02 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.2 136.97 13.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 25.8 m -116.01 139.49 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -146.36 131.49 18.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.04 130.31 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -153.16 102.77 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -168.14 -178.2 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -104.01 112.14 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.4 m0 59.9 36.27 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 121' ' ' ILE . 1.5 t-20 -145.33 161.73 38.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -139.44 77.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.45 HG23 ' OD1' ' A' ' 119' ' ' ASN . 1.6 pt -108.27 109.81 61.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 119.78 6.81 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.78 98.99 7.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.27 156.53 64.34 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.354 2.036 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.656 ' O ' HD23 ' A' ' 127' ' ' LEU . 21.7 t -149.19 130.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.18 120.07 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -144.42 99.95 4.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.789 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 55.8 Cg_endo -70.13 141.37 43.56 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.496 2.131 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 109' ' ' THR . 1.7 pp -155.36 170.9 20.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 105' ' ' GLY . . . -148.46 157.49 43.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 p -130.62 130.49 44.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 104' ' ' LEU . 17.4 m -139.56 132.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.46 -149.08 21.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.616 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.86 ' O ' HG23 ' A' ' 138' ' ' THR . 0.1 OUTLIER -94.41 147.27 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -45.98 -58.53 5.54 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 25.7 Cg_endo -62.24 -30.77 81.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.417 2.078 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 137' ' ' VAL . 6.0 m -136.84 110.92 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 134' ' ' TYR . 0.7 OUTLIER -134.79 148.03 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.469 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 3.8 t80 -102.28 124.69 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.09 139.84 39.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.13 118.18 30.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -103.46 127.1 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.46 119.52 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 153' ' ' VAL . 4.4 mt -84.95 129.73 55.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -73.55 127.48 11.78 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 90.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.56 -57.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -158.35 -46.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -152.65 169.79 21.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.63 33.09 8.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.27 103.84 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' ILE . 8.9 p -133.14 148.2 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -107.25 127.58 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -105.89 120.25 41.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 139' ' ' PHE . . . -114.51 155.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -148.19 138.62 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.9 mtt -90.85 144.85 25.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.26 135.6 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.08 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -126.17 115.29 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 26' ' ' LEU . 27.9 p90 -136.95 -175.16 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.2 mt -119.57 148.98 42.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.91 144.57 50.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -117.19 -63.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -121.42 -175.15 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.72 170.82 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -60.14 111.37 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.2 168.53 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.905 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.713 0.292 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.04 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -76.8 -30.92 56.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -42.22 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -58.82 -31.06 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.59 73.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.97 -37.88 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -30.86 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -30.66 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.41 -43.05 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 17' ' ' THR . 36.6 mm -67.0 -30.91 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.22 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -49.13 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 14' ' ' ILE . 7.3 t -60.11 -36.17 76.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -62.68 -36.86 84.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.792 0.247 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.7 64.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.65 133.0 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 106.53 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -100.44 141.85 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.77 118.26 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.8 113.01 24.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.07 136.28 27.36 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 151.29 26.35 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.455 2.104 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.037 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.56 -155.63 23.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.499 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.57 14.22 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.56 162.58 25.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.8 p90 -148.42 142.82 26.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -166.9 -162.35 18.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 57' ' ' GLY . 4.5 mp -141.19 176.9 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.49 158.44 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -139.07 141.9 38.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -104.44 142.18 35.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -120.38 124.09 44.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.25 -21.1 21.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -91.13 25.99 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.274 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.72 52.36 39.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.05 133.83 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -115.4 102.04 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.73 130.78 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.17 109.99 1.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.7 120.13 38.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.766 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -144.41 146.81 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.98 109.97 11.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.75 140.83 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.92 138.36 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -114.77 128.41 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -115.29 113.11 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.07 168.61 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -82.46 -31.89 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -153.05 65.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -162.22 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.83 167.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -115.04 146.23 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.96 125.35 14.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.63 167.63 26.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.475 2.117 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -149.5 127.52 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -101.33 149.51 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.2 136.02 4.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -146.4 147.17 31.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.52 -168.45 32.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -131.81 147.26 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.1 152.04 31.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -109.62 117.32 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.4 m -88.82 122.48 32.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -109.23 126.27 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -107.35 139.36 20.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.09 174.37 10.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.491 2.127 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.38 75.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.74 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -155.66 171.13 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.36 61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.72 -39.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -126.98 121.8 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 142.97 44.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.72 127.33 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.85 171.26 23.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 107' ' ' GLY . 0.6 OUTLIER -160.71 150.43 17.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.463 ' N ' HD23 ' A' ' 106' ' ' LEU . . . 172.64 -162.67 34.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -116.49 147.63 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -132.76 137.5 46.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.18 149.91 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.639 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -140.47 141.77 11.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.2 m -124.89 124.5 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -112.3 120.26 41.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -130.19 150.62 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.411 ' NH1' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -144.85 -177.61 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -169.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.16 -179.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -91.98 85.11 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -157.75 -53.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.17 178.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.1 pt -104.34 145.04 29.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 65.9 Cg_endo -73.94 -168.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.359 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.411 HD13 ' NH1' ' A' ' 115' ' ' ARG . 7.5 mp -126.97 92.39 44.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.49 147.12 70.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.112 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 111' ' ' GLY . 7.3 m -152.04 143.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.59 117.35 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mt -137.65 147.63 58.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.3 146.42 50.85 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.53 2.153 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 140' ' ' GLN . 0.5 OUTLIER -142.72 152.97 42.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.473 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -123.2 140.71 52.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -103.64 135.13 45.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.25 116.18 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.83 111.03 4.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.72 115.0 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.56 -150.33 38.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.35 -6.55 19.03 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.634 2.223 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 22.0 t -111.75 154.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 10.2 m -118.05 144.04 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -127.34 133.84 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.664 ' HB3' HD21 ' A' ' 129' ' ' LEU . 35.3 mt-30 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.5 mmm -94.1 144.05 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.09 124.1 51.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -105.55 144.97 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.96 99.95 6.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.42 151.94 65.63 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.458 2.106 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.92 146.28 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 10.7 m -104.24 97.93 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -137.45 -71.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -115.59 -61.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -105.41 -51.56 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.4 28.55 73.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -172.0 35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.6 m -86.2 133.36 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -112.98 129.53 56.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.93 162.18 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -142.75 139.77 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -137.43 151.78 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -94.11 140.63 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.04 137.57 39.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -88.4 124.76 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.9 117.07 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.698 0.285 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.99 -57.11 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.619 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -25.99 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.771 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -57.87 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.2 -42.37 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -65.05 -49.55 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.83 -31.65 71.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.23 -31.73 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.79 -53.06 23.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' ALA . 3.2 tt -60.47 -44.68 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -59.8 -35.24 74.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -52.81 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -31.9 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.25 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 44.7 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.88 0.283 . . . . 0.0 112.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.47 33.73 23.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.494 ' O ' HD13 ' A' ' 58' ' ' LEU . 17.3 m170 -63.18 127.68 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.06 111.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.799 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.05 119.55 33.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.13 142.49 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 159' ' ' ARG . 7.6 m-85 -120.06 134.59 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.31 152.93 65.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 -171.37 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.239 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.89 178.63 16.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.23 147.67 5.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -114.7 145.15 18.58 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -152.0 152.79 32.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.528 ' O ' HD22 ' A' ' 58' ' ' LEU . . . 178.42 -163.52 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -133.55 173.51 11.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.2 p -133.46 145.64 50.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -108.74 145.85 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -100.82 108.18 19.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.1 122.33 30.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.59 -15.52 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.486 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.06 2.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.02 46.47 44.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.56 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.08 144.25 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.05 92.01 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.95 143.37 55.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.06 110.0 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.7 mp -124.05 123.07 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -155.49 151.54 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 159.61 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.0 ttm -133.97 163.55 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.78 138.02 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.97 106.98 17.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.89 130.24 34.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -117.72 -177.46 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -12.3 30.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.372 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 15.93 12.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.361 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 55.29 81.52 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.767 0.318 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -177.07 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 82' ' ' TRP . 39.3 p90 -77.93 126.15 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 124.87 61.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.7 143.66 10.82 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.653 2.235 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 85' ' ' ILE . 8.2 tp -156.03 124.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.66 158.05 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.73 135.99 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.591 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 34.2 p90 -146.86 136.48 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.61 179.38 33.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -106.05 141.92 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -132.93 141.64 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -126.57 120.47 29.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.9 p -80.69 128.21 33.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -125.6 154.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -106.43 101.91 38.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.5 133.96 25.35 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.455 2.103 . . . . 0.0 112.25 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.59 81.16 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.27 -65.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.02 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.4 -45.55 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -136.23 62.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.07 102.49 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 128.36 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 132' ' ' VAL . 7.2 tt -136.02 124.21 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -141.45 163.59 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.5 161.89 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.22 177.85 46.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -125.81 127.57 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.551 ' OG1' HD22 ' A' ' 129' ' ' LEU . 61.8 m -99.73 131.72 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -103.75 115.3 30.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.3 122.77 7.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 135.15 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.422 HG22 HD13 ' A' ' 85' ' ' ILE . 66.0 p -105.82 147.71 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.03 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 142.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.29 31.78 0.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -139.14 33.73 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 60.54 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 59.97 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.91 141.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.404 ' CD1' ' HD2' ' A' ' 122' ' ' PRO . 4.5 tp -79.56 135.86 56.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' CD1' ' A' ' 121' ' ' ILE . 66.6 Cg_exo -51.19 159.87 2.5 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 90.53 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 154.89 66.82 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.478 2.118 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 126' ' ' LEU . 21.6 t -152.06 159.06 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.478 ' N ' HG12 ' A' ' 125' ' ' VAL . 1.7 mp -142.35 115.01 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 mt -135.8 142.64 41.38 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.59 138.22 23.81 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.46 2.107 . . . . 0.0 112.391 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.725 ' CD2' HG22 ' A' ' 142' ' ' THR . 5.7 mp -132.54 173.9 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -148.56 167.93 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.86 121.51 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.5 t -141.23 122.95 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.76 -168.22 40.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -141.43 145.99 35.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.58 -144.06 41.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 160' ' ' PHE . 43.7 Cg_endo -68.16 -19.84 44.36 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.518 2.146 . . . . 0.0 112.393 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.96 111.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 131.76 31.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.4 129.89 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.07 116.18 31.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 3.0 mmt -92.68 133.52 35.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.725 HG22 ' CD2' ' A' ' 129' ' ' LEU . 75.4 p -126.9 140.59 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -109.99 113.67 26.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.58 99.9 7.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.58 148.0 58.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.522 2.148 . . . . 0.0 112.316 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -60.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.4 m -116.1 151.28 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -99.23 31.14 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -137.4 29.81 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.31 -43.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.07 37.07 2.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 26.3 m120 60.65 106.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.77 99.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.62 133.4 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.18 164.01 12.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.55 155.07 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -133.31 148.77 51.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 16.8 mtm -89.16 138.24 31.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 27' ' ' TYR . 1.6 ttm180 -122.8 130.46 52.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 136' ' ' PRO . 0.6 OUTLIER -133.6 135.84 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -86.3 139.63 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 160' ' ' PHE . 96.6 m-85 -133.79 175.23 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.648 0.261 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.15 -57.14 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.649 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.18 -25.9 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -76.78 -31.0 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mmm -77.4 -41.63 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -61.11 -29.77 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -42.06 85.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -38.94 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.68 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mm -73.61 -31.03 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.77 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -69.93 -45.05 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -59.82 -31.85 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -83.85 -61.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.777 0.24 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -167.99 33.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -121.76 144.08 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -115.84 103.14 10.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 152.91 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.15 119.16 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -93.69 112.97 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 155.73 80.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 159.77 50.25 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 112.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.8 -84.65 1.34 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.5 164.26 17.1 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 151.27 16.94 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -151.98 131.13 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.4 -151.04 6.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.55 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mp -141.59 176.15 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.6 m -135.45 160.61 37.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -136.22 162.15 33.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -115.58 133.7 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.77 126.48 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.31 -19.39 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -91.62 26.11 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.314 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.23 49.92 49.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.543 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.05 154.41 49.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -122.39 115.39 22.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -96.09 126.09 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.32 111.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.4 pp -129.25 130.05 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -153.91 151.02 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.21 124.79 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.8 mtm -92.37 171.78 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.68 138.02 19.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.12 152.39 41.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -105.54 110.09 22.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.99 161.85 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -93.0 -16.77 24.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 2.3 p-90 -152.86 30.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -153.44 -166.99 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -91.7 163.15 14.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.437 ' CD1' ' HG2' ' A' ' 76' ' ' LYS . 10.8 m0 -60.2 142.27 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.84 124.94 29.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.71 157.34 35.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.494 2.13 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.49 HG23 HG22 ' A' ' 113' ' ' THR . 4.0 mp -142.91 142.99 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 146.38 40.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.76 137.86 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -144.68 130.03 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.2 151.97 24.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.66 119.97 25.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -138.94 152.92 48.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -109.08 127.15 53.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.6 p -99.3 150.02 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.65 154.58 51.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 101.9 14.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.18 -169.76 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.482 2.122 . . . . 0.0 112.213 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mp -99.71 -33.79 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.5 69.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.23 147.33 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -112.38 -28.3 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.76 31.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -127.08 120.9 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -104.94 151.45 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.56 125.32 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.37 163.37 31.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.71 160.24 39.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -165.72 35.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.547 ' HB3' HD21 ' A' ' 126' ' ' LEU . 38.6 m-85 -119.49 129.29 54.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 129' ' ' LEU . 1.4 p -109.33 113.42 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.64 159.59 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.21 129.61 2.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p -116.09 140.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.49 HG22 HG23 ' A' ' 85' ' ' ILE . 23.3 p -120.02 159.46 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -114.63 142.01 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.631 ' NH2' HD22 ' A' ' 123' ' ' LEU . 11.3 mtm-85 -154.93 136.23 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.85 41.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -104.15 109.46 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 67.28 -72.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.54 177.07 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.37 30.92 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.2 mm -109.53 127.15 27.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 161.79 4.74 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.371 2.047 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.631 HD22 ' NH2' ' A' ' 115' ' ' ARG . 5.5 mp -110.42 86.11 5.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 156.8 60.36 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.9 t -152.24 146.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 108' ' ' PHE . 1.1 tt -134.26 126.86 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 127' ' ' LEU . 6.5 tp -147.85 138.86 13.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.62 137.62 50.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.528 2.152 . . . . 0.0 112.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.669 HD21 ' HG2' ' A' ' 140' ' ' GLN . 8.2 tt -143.78 152.8 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.73 138.97 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.6 p -106.68 140.82 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.817 HG13 ' HB2' ' A' ' 139' ' ' PHE . 12.2 p -143.82 124.93 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -93.95 116.1 5.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -123.37 114.88 20.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.58 -150.4 38.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.52 -5.39 16.83 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.629 2.219 . . . . 0.0 112.681 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 21.7 t -112.32 155.09 13.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 111.25 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -102.21 147.99 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.817 ' HB2' HG13 ' A' ' 132' ' ' VAL . 9.4 m-85 -122.72 146.01 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.669 ' HG2' HD21 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -140.7 125.89 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 mtt -122.57 123.37 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 138.68 31.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -104.16 146.27 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.966 HD12 HG23 ' A' ' 153' ' ' VAL . 24.3 mt -136.01 135.78 21.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 128.27 15.61 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.465 2.11 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.23 -138.37 10.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m -119.51 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -172.09 136.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.26 -78.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.79 174.55 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.92 28.69 7.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -110.04 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.966 HG23 HD12 ' A' ' 144' ' ' ILE . 6.1 m -106.36 144.42 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -127.23 138.11 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.07 149.48 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.22 157.05 43.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -166.31 142.76 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.43 146.22 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -123.44 122.44 38.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.6 142.15 36.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -116.52 122.05 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -130.32 166.63 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.657 0.265 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -25.91 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -67.28 -39.36 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.1 mmm -60.25 -31.55 70.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -31.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -69.99 -31.28 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.95 -55.9 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.06 -31.04 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -71.07 -30.92 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -73.24 -39.32 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm -70.89 -42.8 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.37 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -38.6 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.15 -32.32 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -72.56 -31.73 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.798 0.249 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.21 -64.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -113.03 178.69 4.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.07 165.11 13.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.01 123.56 32.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.69 124.69 42.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -107.2 127.43 53.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 tt -143.37 134.95 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 161.01 47.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.46 2.107 . . . . 0.0 112.281 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.097 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.28 -96.54 2.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.13 165.49 12.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.35 159.08 23.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -151.45 152.81 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.77 -164.86 37.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -131.96 173.7 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 168.3 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.77 177.96 9.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -140.05 106.99 5.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -61.66 142.92 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -59.81 -17.2 34.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.569 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -89.76 26.13 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.583 0.23 . . . . 0.0 111.294 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.79 52.7 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.587 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 38.7 m-20 -132.0 157.08 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -132.1 109.95 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -124.64 137.18 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.85 141.17 8.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -105.32 130.81 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.0 145.16 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.2 110.77 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.92 163.42 15.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.43 138.2 29.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -102.97 156.19 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 119.93 39.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.12 -177.41 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -78.38 -34.66 48.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -109.09 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -175.59 78.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.66 77.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -60.67 105.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.58 124.96 91.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.747 ' O ' HD13 ' A' ' 85' ' ' ILE . 73.0 Cg_endo -76.1 137.38 19.28 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.165 . . . . 0.0 112.309 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 84' ' ' PRO . 22.3 mm -141.38 134.69 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.81 151.46 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.38 8.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 1.7 t80 -105.48 149.25 26.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.67 147.2 18.72 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -139.09 125.39 20.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 129' ' ' LEU . 5.8 mt-10 -133.9 153.05 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.35 135.16 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 140.75 48.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.95 141.2 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.1 136.92 28.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.78 -73.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.55 2.167 . . . . 0.0 112.261 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.2 tt -173.9 36.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.82 30.8 20.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.54 -34.23 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -103.28 -22.85 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 66.07 30.9 9.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.03 126.85 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.78 129.13 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 104' ' ' LEU . 9.2 tt -123.04 119.94 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.86 162.41 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -145.33 126.09 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -165.3 -160.22 12.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 4.0 m-85 -134.9 151.43 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 109' ' ' THR . 9.5 t -118.27 117.94 30.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.18 120.51 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.23 -169.53 16.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.06 137.85 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 HD23 ' A' ' 123' ' ' LEU . 1.3 t -135.68 156.62 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.16 140.16 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -85.95 166.21 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -59.79 112.99 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.6 m95 60.57 -176.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -173.35 105.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.659 ' CD2' HG23 ' A' ' 121' ' ' ILE . 2.5 p90 -153.74 -46.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.659 HG23 ' CD2' ' A' ' 120' ' ' TYR . 2.6 pt -97.92 143.15 25.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.17 153.17 40.81 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 113' ' ' THR . 3.5 tp -116.69 88.59 25.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.83 136.12 34.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.582 2.188 . . . . 0.0 112.313 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.3 m -138.49 125.16 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -130.04 117.44 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 mt -144.28 140.09 16.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.674 ' C ' HD13 ' A' ' 129' ' ' LEU . 74.5 Cg_endo -75.05 157.94 42.28 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.487 2.125 . . . . 0.0 112.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.674 HD13 ' C ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -157.71 177.55 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.41 129.38 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.0 p -99.67 118.73 36.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.5 m -128.07 118.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.52 -160.38 33.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -146.0 144.48 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.59 -143.7 41.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.0 -20.36 44.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.555 2.17 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 t -90.6 110.94 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 140' ' ' GLN . 25.2 m -137.81 128.95 27.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.13 126.85 35.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.401 ' OE1' HG22 ' A' ' 138' ' ' THR . 0.5 OUTLIER -107.64 134.17 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.27 118.24 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.17 123.57 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -114.9 133.45 55.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 15.3 tt -106.32 136.03 19.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 169.98 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.453 2.102 . . . . 0.0 112.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.49 -152.92 7.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.13 -45.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 153.05 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.29 -33.76 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -80.57 140.5 35.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.01 5.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.72 132.9 37.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.39 107.8 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -100.77 134.75 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.96 142.46 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -108.14 145.42 34.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -148.26 126.45 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.39 126.96 41.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -117.62 123.17 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -125.34 131.36 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.17 134.17 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.64 133.42 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.657 0.265 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.19 -49.48 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -25.83 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.567 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.66 90.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.31 -31.02 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -68.37 -31.28 70.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.44 -37.49 87.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -73.42 -32.02 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -32.77 47.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -74.18 -40.21 62.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 15' ' ' ALA . 19.3 tt -68.5 -44.29 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.57 -41.54 98.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -53.27 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 14' ' ' ILE . 9.4 t -60.58 -31.4 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -31.45 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.6 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.786 0.244 . . . . 0.0 112.236 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.06 -31.81 44.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -116.14 128.15 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -111.04 115.14 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.477 ' C ' HD12 ' A' ' 26' ' ' LEU . 68.9 m-20 -103.9 162.21 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 25' ' ' ASP . 3.9 mp -147.41 114.77 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.36 130.15 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.1 pt -134.21 133.09 21.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.34 -174.26 2.13 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.534 2.156 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.7 m95 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.7 92.52 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.68 171.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.15 33.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -115.45 173.95 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.33 156.98 24.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -145.71 177.98 8.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.807 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.3 p -172.26 154.05 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -131.44 179.12 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.67 132.62 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.25 122.64 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -18.67 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 26.15 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.289 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.58 42.51 95.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -132.11 157.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -111.91 100.47 8.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 142.47 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.35 141.42 12.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 tt -154.02 114.05 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.77 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.542 ' OH ' HG21 ' A' ' 109' ' ' THR . 43.6 p90 -136.5 162.69 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.24 129.99 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.1 mtt -128.18 177.06 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.06 138.01 29.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -106.12 141.29 37.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -84.94 145.38 27.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.86 -173.74 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -31.92 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 -69.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -166.84 92.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -169.24 124.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -114.94 131.24 56.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -120.77 124.99 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.98 159.69 41.12 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.398 2.066 . . . . 0.0 112.392 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 113' ' ' THR . 26.9 pt -144.32 135.14 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -99.77 146.76 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.94 135.98 5.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -145.41 140.68 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.4 22.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -129.89 144.1 51.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.57 148.07 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -99.79 140.78 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.95 147.97 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.39 117.32 6.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -125.11 148.85 61.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -29.19 21.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.567 2.178 . . . . 0.0 112.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tp -162.15 36.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.63 70.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.93 162.93 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -109.02 -28.8 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -58.98 -61.92 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -114.54 132.73 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -144.03 162.14 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.699 ' HB3' HG23 ' A' ' 132' ' ' VAL . 3.4 pp -152.1 144.78 24.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -159.87 -178.54 33.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.03 157.09 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.7 -164.45 35.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.93 157.85 19.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.542 HG21 ' OH ' ' A' ' 71' ' ' TYR . 20.0 m -138.94 132.1 29.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.02 113.97 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.62 129.97 10.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.567 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 86' ' ' ALA . 15.5 m -115.97 126.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.541 HG22 HG22 ' A' ' 85' ' ' ILE . 42.5 p -130.7 128.46 40.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -106.69 135.37 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -112.22 95.29 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.62 92.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.21 -51.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -130.77 -61.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -127.38 -178.38 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -100.48 94.86 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.17 92.99 37.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.31 154.06 15.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.529 2.152 . . . . 0.0 112.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.64 89.26 27.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.97 145.02 44.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.57 2.18 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -147.09 120.98 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.13 123.27 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 mp -146.23 140.96 15.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.663 ' C ' HD13 ' A' ' 129' ' ' LEU . 87.6 Cg_endo -83.39 149.52 13.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.619 2.213 . . . . 0.0 112.493 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -158.52 179.23 9.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.69 175.34 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -160.04 118.03 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 104' ' ' LEU . 9.3 p -143.99 133.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.81 -166.08 35.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -145.9 147.07 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.93 -150.95 35.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.13 -7.49 21.09 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.581 2.187 . . . . 0.0 112.603 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 137' ' ' VAL . 11.9 p -107.01 116.43 50.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.694 HG23 ' HB3' ' A' ' 159' ' ' ARG . 1.5 t -138.01 147.27 44.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -108.91 143.42 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -122.67 125.21 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 80.7 mmm -106.44 156.18 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 142' ' ' THR . 9.7 t -141.01 120.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -100.25 155.86 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.4 tp -99.28 134.08 21.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.422 ' HD2' HD12 ' A' ' 144' ' ' ILE . 55.5 Cg_endo -70.03 135.32 29.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.272 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.84 128.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 147' ' ' THR . 5.6 t -143.65 79.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 148' ' ' TYR . 43.8 p90 -69.54 123.01 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.6 m120 68.24 -68.29 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -171.42 -175.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.26 28.42 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.543 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.63 103.94 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.2 m -94.9 130.66 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.88 136.27 48.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.72 161.0 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -136.58 138.11 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -129.38 151.77 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 7.4 mmt -93.28 135.53 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.694 ' HB3' HG23 ' A' ' 138' ' ' THR . 0.7 OUTLIER -131.81 141.26 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.36 134.46 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.33 119.79 40.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.01 178.58 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.765 0.317 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -57.03 4.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.995 0.426 . . . . 0.0 110.579 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -25.84 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -45.47 57.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mmm -61.69 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.3 p -59.82 -38.57 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -77.99 -31.4 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -35.47 80.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -59.63 -32.71 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -31.28 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -76.64 -44.94 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.8 mm -67.59 -39.05 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.3 -49.32 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.5 p -72.94 -31.44 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -60.94 -32.08 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.816 0.257 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.21 32.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CD2' HD21 ' A' ' 163' ' ' LEU . 0.1 OUTLIER -65.31 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.41 106.59 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -103.98 139.73 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -138.97 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 28' ' ' ILE . 3.4 m-85 -99.29 125.83 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 27' ' ' TYR . 16.3 pt -158.61 147.77 14.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.47 -173.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 158' ' ' MET . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.4 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.56 -141.98 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.21 -177.89 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.49 153.05 21.12 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.55 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -145.65 142.06 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.14 -163.52 24.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -127.33 177.95 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -155.95 169.13 25.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -132.51 154.04 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -136.13 132.12 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.19 141.4 50.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.35 -18.5 28.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.433 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -89.9 25.99 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.79 47.49 75.27 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.545 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.22 96.91 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -103.63 92.94 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.465 ' CD2' HD12 ' A' ' 70' ' ' LEU . 6.9 t60 -68.86 143.09 54.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.92 119.41 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.559 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 68' ' ' HIS . 1.6 mt -144.68 114.1 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -151.8 164.88 36.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.93 120.08 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.07 168.63 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.09 137.93 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.85 135.17 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 145.63 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.27 -176.01 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 p -83.55 -28.03 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -138.63 -46.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.782 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -108.11 178.21 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -60.17 107.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.83 124.9 85.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.08 142.52 13.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.554 2.17 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.92 117.03 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.622 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -100.62 148.24 25.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.184 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.97 3.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -156.83 152.5 26.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.42 -173.48 39.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 92' ' ' SER . 12.4 t90 -98.16 144.1 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -136.11 135.57 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 87.6 p -134.23 130.89 37.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -119.82 147.65 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -122.3 159.02 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 150.2 43.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.16 -44.78 1.06 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.612 2.208 . . . . 0.0 112.238 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -176.71 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.06 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.33 28.74 13.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.72 75.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -175.22 -77.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -99.02 138.07 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -114.17 116.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -137.37 122.11 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.7 -172.91 38.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mt -132.8 170.99 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.05 146.88 8.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.7 142.29 27.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.46 132.44 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.95 114.04 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.671 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.5 134.62 11.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.0 m -128.23 126.79 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.7 p -109.11 116.78 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -107.13 142.64 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -121.56 -176.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -142.21 33.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -69.58 -64.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -126.54 -51.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -135.77 155.52 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.22 101.91 5.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.3 mt -131.66 92.91 29.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.36 143.52 53.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.455 2.103 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.35 88.05 3.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 112' ' ' VAL . 57.2 Cg_endo -70.87 153.36 63.89 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 111' ' ' GLY . 6.0 m -154.01 130.46 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 127' ' ' LEU . 4.6 mt -99.59 125.63 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.7 mp -147.99 144.08 18.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.01 149.23 41.38 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 ' NE2' ' A' ' 140' ' ' GLN . 7.4 tt -152.92 149.99 28.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.59 165.68 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -140.77 118.59 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.7 m -143.82 122.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.23 -163.94 33.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.611 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.8 139.7 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.84 -141.0 45.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.69 -23.22 42.65 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.493 2.129 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.54 110.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.3 m -130.75 112.88 13.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.644 ' CZ ' ' HB1' ' A' ' 156' ' ' ALA . 7.4 t80 -85.13 122.49 29.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.537 ' NE2' HD11 ' A' ' 129' ' ' LEU . 7.8 pt20 -110.78 158.23 18.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 25.7 mtt -129.63 122.53 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.9 m -101.03 129.94 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.09 133.2 51.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 tp -93.43 133.62 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.91 153.28 58.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.425 2.083 . . . . 0.0 112.221 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.58 98.95 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.78 86.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 -67.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -108.93 144.45 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.3 -172.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.02 30.45 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -110.34 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.59 142.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.79 134.44 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -105.71 133.12 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.644 ' HB1' ' CZ ' ' A' ' 139' ' ' PHE . . . -102.53 158.89 15.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -154.8 158.22 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 3.6 ttt -111.64 132.67 54.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -110.46 137.74 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.59 121.6 36.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -111.38 153.26 26.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 23' ' ' HIS . 12.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.748 0.309 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.13 -57.05 4.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.87 -25.84 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -64.36 -42.71 96.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -63.3 -46.39 86.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.3 p -60.41 -48.8 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -60.53 -40.95 93.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.24 -33.22 69.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -62.11 -35.22 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.25 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -76.49 -53.45 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 11' ' ' ARG . 2.9 tt -59.95 -35.2 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.82 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.62 -37.12 76.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -74.05 -37.96 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -60.47 -53.96 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.799 0.249 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -139.12 -72.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -130.53 142.63 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.69 113.18 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -103.73 129.06 51.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.937 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -107.25 124.21 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CD2' ' HE2' ' A' ' 73' ' ' MET . 0.2 OUTLIER -100.06 113.28 25.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.937 HD11 HD23 ' A' ' 26' ' ' LEU . 32.1 mt -138.23 135.63 18.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.59 179.73 4.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.395 2.063 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.867 0.365 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.15 -131.13 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.15 -175.84 45.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.584 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.7 -176.0 37.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -151.26 173.75 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.74 44.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.2 155.94 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.2 m -128.59 144.76 51.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.24 155.93 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -112.69 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.95 -22.86 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.399 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -70.82 -24.97 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.77 41.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -132.01 156.07 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.13 96.89 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -68.12 134.48 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.52 111.66 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.422 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -130.11 121.04 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 27' ' ' TYR . 2.4 p90 -156.42 159.62 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.22 127.01 51.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.465 ' HE2' ' CD2' ' A' ' 27' ' ' TYR . 1.9 ttm -118.95 144.68 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . . . -120.3 138.04 53.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 85' ' ' ILE . 55.0 p90 -103.84 141.46 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 119.32 24.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 -23.59 27.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.261 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -147.81 -51.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -65.31 -176.4 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.802 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -72.34 176.87 4.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -86.82 145.51 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.1 tt0 -101.66 125.24 37.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.454 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 17.3 Cg_exo -66.71 160.69 45.17 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.414 2.076 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.558 HD11 ' CD2' ' A' ' 75' ' ' PHE . 31.1 mt -147.03 151.93 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.731 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -104.8 147.32 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.18 137.65 6.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.9 p90 -152.47 134.77 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -173.39 33.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -135.99 148.6 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -142.56 152.96 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.9 m -85.6 141.08 30.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -117.63 143.53 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HB3' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ppt_? -128.85 101.91 19.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.29 178.21 3.87 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.433 2.089 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 97' ' ' LEU . 4.2 mp -91.62 89.34 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.11 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -127.2 165.94 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.87 -32.39 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -55.45 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.78 129.39 39.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 95' ' ' ARG . 8.7 m-70 -143.91 149.2 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.767 ' HA ' HG12 ' A' ' 132' ' ' VAL . 5.6 mp -140.35 121.32 14.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.47 160.12 25.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -141.5 153.34 44.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.91 -159.98 22.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -122.05 150.92 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.559 HG21 HD13 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -131.93 139.42 48.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.646 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -123.31 152.12 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.62 160.08 27.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.731 HG23 ' HB3' ' A' ' 86' ' ' ALA . 9.6 m -148.0 117.05 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.44 113.5 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.59 159.07 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -177.97 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -118.12 -44.39 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -129.89 30.43 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m0 59.34 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -144.79 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -118.72 146.96 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.97 156.61 90.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.07 140.07 80.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.642 2.228 . . . . 0.0 112.121 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 tp -105.77 89.04 3.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 156.14 58.94 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.528 2.152 . . . . 0.0 112.252 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.74 144.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 110' ' ' ALA . 5.2 mt -143.22 114.98 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.8 155.36 44.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.95 147.0 54.3 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.65 HD21 ' HG3' ' A' ' 140' ' ' GLN . 9.5 tt -143.08 147.8 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.15 143.19 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.6 p -127.4 114.03 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 104' ' ' LEU . 21.5 m -139.82 131.29 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 157.67 -154.45 25.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.572 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -79.61 147.23 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -47.85 -61.2 4.95 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.967 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 27.3 Cg_endo -62.47 -30.04 79.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.541 2.161 . . . . 0.0 112.311 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 137' ' ' VAL . 9.7 p -137.95 110.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.4 p -116.67 147.97 41.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -89.89 133.65 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.731 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.65 ' HG3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -105.01 130.67 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.4 mmm -125.91 118.21 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -99.63 131.22 45.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 144' ' ' ILE . 53.5 t80 -132.88 159.05 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -139.37 147.09 51.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 170.1 19.33 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -148.69 -164.88 11.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.589 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.8 -33.74 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.5 -55.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.73 114.73 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.94 -35.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.38 24.57 53.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 t30 57.42 39.07 28.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 153' ' ' VAL . 11.6 p -73.02 112.15 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -138.02 142.98 40.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.27 145.96 40.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.64 161.31 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.07 169.65 17.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 13.1 mtt -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -133.93 124.91 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -103.37 147.08 27.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -123.17 134.39 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.13 133.8 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.819 0.342 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 8' ' ' THR . 2.7 t0 -77.04 -57.04 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.94 -25.94 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.89 -39.62 72.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mmt -77.88 -33.8 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 4' ' ' ASP . 59.1 p -59.98 -30.13 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -58.73 -31.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -67.61 -50.11 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -32.68 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.07 -32.57 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -72.08 -39.77 68.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -74.2 -40.71 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.09 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -50.85 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -60.55 -35.45 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -69.45 -53.82 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.802 0.251 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -103.87 -31.88 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.45 150.07 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -128.88 137.86 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -120.62 165.5 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HD11 ' A' ' 28' ' ' ILE . 11.3 tp -139.67 132.35 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -112.47 113.16 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 26' ' ' LEU . 4.3 mt -126.44 135.93 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.0 Cg_endo -70.31 143.25 47.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.447 2.098 . . . . 0.0 112.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' ' SD ' ' A' ' 158' ' ' MET . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.16 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.9 -174.74 46.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.592 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -146.23 6.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -125.05 173.96 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 71' ' ' TYR . . . -145.14 142.6 10.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.93 178.06 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -170.11 168.06 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -131.92 169.5 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -105.76 153.53 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -142.48 123.18 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.74 -20.12 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.519 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -89.8 26.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 111.442 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.35 43.4 96.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.448 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -132.1 157.05 45.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -143.76 125.31 14.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.92 141.9 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.09 116.53 3.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.599 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.2 141.02 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.47 ' HB3' ' HE3' ' A' ' 73' ' ' MET . 11.5 m-85 -145.31 151.62 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.3 109.99 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.47 ' HE3' ' HB3' ' A' ' 71' ' ' TYR . 1.8 mtt -120.16 178.08 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.3 138.0 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -131.76 153.78 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.95 139.17 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.03 -169.6 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -28.65 65.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -97.92 28.82 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 56.04 30.53 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.33 111.83 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -69.24 116.42 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -102.4 124.95 37.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.83 162.58 37.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.2 119.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.511 ' N ' HD13 ' A' ' 85' ' ' ILE . . . -94.73 134.86 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.22 136.04 8.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.95 152.97 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.53 -162.81 31.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.47 149.26 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -137.47 138.2 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -135.6 105.23 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.4 p -92.09 140.17 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -134.3 128.24 33.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -137.12 142.86 39.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.1 -174.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.459 2.106 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.63 51.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.36 33.11 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.42 -52.8 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.55 -30.58 12.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 62.61 37.97 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.82 130.08 46.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.03 121.73 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.2 tt -150.43 120.04 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.13 177.07 31.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 137.93 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.08 151.74 22.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -101.73 140.93 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.04 121.53 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.406 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -101.42 114.07 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.85 15.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.06 123.54 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 m -116.13 138.11 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -146.84 127.62 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -117.71 137.69 52.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.27 161.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -106.51 -28.68 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.995 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -49.39 76.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -79.1 -54.52 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.422 ' O ' HD13 ' A' ' 121' ' ' ILE . 14.0 t80 59.52 84.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 120' ' ' TYR . 24.5 mm -128.67 92.8 39.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.39 148.68 70.18 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.49 2.127 . . . . 0.0 112.245 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.07 75.97 78.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.42 134.71 12.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.1 m -154.01 128.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.194 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -93.35 125.71 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 144' ' ' ILE . 0.1 OUTLIER -129.2 99.82 21.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.08 134.34 19.36 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.525 2.15 . . . . 0.0 112.344 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 142' ' ' THR . 1.7 pp -141.9 161.77 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.72 127.8 42.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 117.71 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 104' ' ' LEU . 13.3 m -143.97 125.88 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.63 -162.36 31.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -146.02 146.13 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.08 -149.93 29.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.62 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.58 -11.13 29.29 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.625 2.217 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 137' ' ' VAL . 35.3 m -101.69 121.34 52.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 148.02 44.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -129.54 130.74 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.99 143.26 33.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.2 mtp -111.9 121.44 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 129' ' ' LEU . 14.7 p -99.72 143.2 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -116.57 121.26 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.452 HD11 ' HE2' ' A' ' 155' ' ' PHE . 1.8 pt -140.87 99.9 6.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 163.83 37.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.25 -159.13 8.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.8 m -91.64 79.74 5.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.84 177.03 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.63 -50.17 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -90.1 -68.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.86 36.72 65.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.14 35.89 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -78.06 131.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -129.07 137.08 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.452 ' HE2' HD11 ' A' ' 144' ' ' ILE . 87.3 m-85 -113.09 148.72 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.5 148.89 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -130.91 161.31 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -95.37 128.97 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -130.81 119.45 22.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 120.86 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.11 121.6 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -133.51 155.25 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.676 0.274 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -57.05 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.642 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.52 -25.89 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.722 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -77.64 -30.82 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -46.27 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.3 p -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -60.1 -44.66 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.449 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' ILE . 2.4 ttt180 -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -44.22 77.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.6 -54.57 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 10' ' ' PHE . 17.4 tt -59.83 -34.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . . . -65.03 -55.07 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.51 -31.55 70.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -73.37 -48.11 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -44.17 97.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.85 0.271 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.91 136.88 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -103.8 140.18 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 52.9 m-85 -75.12 111.44 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.08 144.66 30.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 55' ' ' GLY . 61.6 tp -125.81 141.02 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -127.84 115.38 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.06 158.41 67.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.88 159.57 3.62 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.59 2.193 . . . . 0.0 112.28 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.72 -157.3 42.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.37 -175.6 45.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -109.38 136.35 13.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -152.05 136.93 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.19 -156.09 9.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.26 178.01 7.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 p -141.07 168.2 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -151.87 160.61 43.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -104.66 139.03 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.45 123.7 49.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.69 -18.78 45.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -92.78 26.11 2.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.258 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.98 48.49 47.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.04 156.22 46.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.84 98.82 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -71.79 132.91 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.55 109.99 0.73 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 88' ' ' TYR . 0.8 OUTLIER -103.67 124.32 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.1 p90 -119.08 123.41 44.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 110.03 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 3.5 mtt -105.0 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.7 150.17 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.73 127.86 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HD2' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -90.6 96.93 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -69.94 151.81 45.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 p -59.44 -21.47 60.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -68.47 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.75 -76.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -82.26 154.22 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HD2' ' A' ' 76' ' ' LYS . 37.8 p90 -93.19 156.53 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.12 124.85 34.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 170.6 12.99 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.603 2.202 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' ILE . 2.6 tt -156.0 118.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.01 144.89 25.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -140.74 136.02 7.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.597 ' CE2' HD11 ' A' ' 70' ' ' LEU . 12.2 m-85 -135.61 113.95 11.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.18 166.86 24.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -135.39 128.69 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -138.74 153.01 48.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -106.79 126.62 52.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 p -110.7 140.58 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -124.27 135.29 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 155.15 45.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 162.37 42.25 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.482 2.122 . . . . 0.0 112.284 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.439 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.71 71.99 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.05 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.66 149.13 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -97.93 37.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -96.0 -57.87 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.69 132.27 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -136.64 137.68 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 132' ' ' VAL . 8.6 tt -145.05 119.87 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.02 170.39 33.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.58 163.07 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.75 37.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -115.8 142.97 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.418 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 31.1 p -117.04 110.98 18.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.23 119.83 36.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -126.42 178.75 16.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.51 147.9 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -119.88 128.61 53.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -139.95 131.66 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -67.87 170.19 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -105.14 -31.92 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -164.77 118.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' HD12 ' A' ' 121' ' ' ILE . 0.0 OUTLIER -141.79 -72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 120' ' ' TYR . 2.7 mp -126.59 92.97 43.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.62 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.595 2.197 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.6 tp -128.01 88.75 52.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.42 153.24 70.74 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.588 2.192 . . . . 0.0 112.286 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.2 122.72 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.34 125.93 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.6 mt -148.03 149.09 31.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.46 141.22 41.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.587 2.191 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.9 149.02 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.8 -179.59 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -164.32 120.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.53 HG21 HD12 ' A' ' 104' ' ' LEU . 12.1 p -142.84 134.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.02 34.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 134' ' ' TYR . 2.7 p90 -145.9 146.54 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.24 -146.08 37.2 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 -17.43 43.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.517 2.145 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.26 111.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 m -138.0 123.9 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -91.93 121.44 33.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -105.34 140.58 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.9 129.29 55.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -113.78 130.02 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.53 122.71 48.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.37 135.76 28.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.17 133.82 18.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.148 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.03 -108.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.9 m -127.62 -45.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -164.91 32.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -161.48 111.91 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -108.94 172.76 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.37 35.73 8.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -160.87 -49.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 153' ' ' VAL . 35.6 m -72.97 123.01 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -138.0 138.14 38.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.08 150.19 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -125.75 168.02 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -160.77 139.04 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.91 136.73 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.04 139.15 54.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -140.79 127.81 20.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -104.8 116.37 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -136.54 178.41 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 163' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.725 0.298 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.567 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.21 -25.88 66.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -74.23 -30.31 62.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -31.82 63.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -59.83 -52.89 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -60.29 -31.21 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -68.01 -45.79 73.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -45.45 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -66.92 -35.61 80.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.81 -30.97 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.61 58.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.2 96.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 13' ' ' ASN . 54.0 p -60.04 -54.05 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.93 -31.58 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.895 0.289 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.8 176.83 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.15 160.82 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -103.04 106.89 17.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -81.09 124.51 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 160' ' ' PHE . 0.4 OUTLIER -116.69 143.11 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 96.9 m-85 -131.97 113.44 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.29 144.77 33.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.2 -168.07 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.483 2.122 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.2 m95 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.78 164.1 10.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.08 -157.56 20.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.9 143.44 14.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -152.02 132.26 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -175.46 -171.04 39.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.7 mp -131.07 177.95 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.821 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 p -132.89 158.86 41.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -125.83 147.48 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 48.1 p-90 -106.97 131.13 54.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.28 115.51 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.08 -22.84 30.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -70.8 -23.27 62.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -132.07 157.04 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 53.8 t-105 -134.58 97.0 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -67.93 126.03 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.75 109.92 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.32 114.7 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.761 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -130.26 142.97 50.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 109.88 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.63 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.2 mpp? -94.53 175.58 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.03 138.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 83' ' ' GLU . 3.2 p90 -124.99 140.06 53.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.97 123.57 39.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.42 148.07 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -64.86 -19.78 66.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -151.1 35.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -157.33 -163.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -82.32 -176.49 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -102.36 137.34 40.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.9 mm-40 -95.08 125.0 52.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 85' ' ' ILE . 85.0 Cg_endo -82.29 156.3 16.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.593 2.196 . . . . 0.0 112.42 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 73' ' ' MET . 10.3 pt -156.12 122.73 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.0 153.99 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.203 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.68 136.03 4.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.409 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.03 -166.2 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.545 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -117.34 131.95 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -130.63 150.91 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -106.6 130.52 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 t -89.45 145.21 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 107.98 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -111.57 120.86 41.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.07 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.25 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.2 -50.11 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.11 88.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -146.47 50.1 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 60.99 31.73 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.2 79.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 0.2 OUTLIER -90.66 141.98 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.06 122.89 48.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.842 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -122.82 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.76 142.6 11.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.3 tp -157.48 125.06 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.423 ' O ' HD13 ' A' ' 129' ' ' LEU . . . -175.62 -162.55 26.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.6 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.88 160.4 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 m -137.53 133.71 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.83 139.46 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.07 -141.16 3.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.8 m -131.82 136.04 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 t -134.17 149.29 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.13 118.94 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -153.23 93.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.52 -178.45 4.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -114.11 104.61 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.23 33.48 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.09 110.5 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 81.96 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.9 tt -136.05 92.89 15.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.82 122.54 10.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.6 OUTLIER -103.81 140.28 20.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.4 ' HD2' HD23 ' A' ' 123' ' ' LEU . 60.3 Cg_endo -72.6 134.59 22.52 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.367 2.044 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.23 137.36 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 126' ' ' LEU . 9.4 tt -135.61 120.35 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.679 HD22 HG22 ' A' ' 144' ' ' ILE . 1.4 pp -145.65 147.65 33.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.34 158.09 52.16 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.56 2.174 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.568 ' C ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.06 171.83 16.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.567 ' N ' HD22 ' A' ' 129' ' ' LEU . . . -170.44 153.3 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.3 t -140.95 123.19 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.842 HG12 ' HG ' ' A' ' 104' ' ' LEU . 15.6 m -132.77 134.84 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . 168.16 -157.12 29.17 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.81 145.37 36.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 56.87 -147.58 33.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.94 -15.53 40.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.49 111.02 25.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 m -138.14 129.05 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -82.22 120.2 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 117.9 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 12.6 ptm -111.09 125.75 54.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 127' ' ' LEU . 26.7 m -117.94 146.03 44.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . 0.558 ' CZ ' HG23 ' A' ' 153' ' ' VAL . 2.4 t80 -121.75 132.48 54.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.679 HG22 HD22 ' A' ' 127' ' ' LEU . 1.7 pt -119.07 99.91 50.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.99 167.66 25.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.443 2.095 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 142.41 -85.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.0 165.31 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -60.24 -67.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 60.21 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -108.14 35.4 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.42 36.74 89.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -136.36 44.58 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 143' ' ' TYR . 5.4 m -121.03 102.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.03 137.2 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -110.74 122.04 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.97 156.89 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.87 136.95 11.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.76 119.77 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 39.2 ttt180 -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . 0.44 ' HB3' HD11 ' A' ' 26' ' ' LEU . 11.3 t80 -130.44 147.0 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -96.77 133.46 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.23 161.1 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.07 -57.08 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.12 -25.94 65.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.715 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -70.05 -49.63 49.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -35.07 74.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -60.13 -31.76 70.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -77.11 -38.0 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 14' ' ' ILE . 28.3 m-85 -75.06 -36.74 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.45 97.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.16 -35.13 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.36 -50.29 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 10' ' ' PHE . 8.3 tp -66.48 -37.89 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.4 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -73.52 -58.38 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -35.12 74.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -74.13 -30.73 62.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' HD21 ' A' ' 58' ' ' LEU . 38.6 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.832 0.263 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -74.95 -31.66 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.29 160.95 40.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.85 113.94 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -118.8 150.29 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.56 134.62 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -111.01 119.55 39.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 pt -138.52 154.11 73.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.57 178.47 3.81 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.606 2.204 . . . . 0.0 112.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.772 0.32 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.96 -178.89 43.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.409 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.05 -178.36 37.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -145.94 161.77 28.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -152.02 142.82 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.42 -155.26 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 21' ' ' PRO . 5.6 mp -131.98 177.17 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -143.41 140.39 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 6.7 ttm-85 -121.55 149.58 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -113.91 140.0 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -110.59 137.9 47.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.73 -20.15 32.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.392 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 26.08 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.696 0.284 . . . . 0.0 111.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.52 56.44 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.616 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -131.95 156.17 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 100.54 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.412 ' CD2' ' HD2' ' A' ' 60' ' ' ARG . 86.5 m-70 -68.46 126.01 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.41 109.97 3.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.3 mp -123.9 119.89 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -152.95 158.56 42.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.95 109.89 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.683 ' HB2' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -93.44 168.97 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.3 138.06 13.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -107.97 107.0 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.93 97.03 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -108.61 147.29 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -30.18 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -110.15 36.34 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -156.12 -83.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.09 162.06 0.34 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -115.06 121.33 42.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -142.45 124.99 9.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.73 166.0 15.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.403 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 73' ' ' MET . 41.8 pt -156.12 140.08 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.0 140.79 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.38 165.34 29.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.638 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -144.27 152.98 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -161.18 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -142.95 150.01 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -107.38 119.4 39.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.4 p -98.59 141.17 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -151.99 144.78 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -100.51 142.69 25.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 45.3 Cg_exo -56.21 -165.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.477 2.118 . . . . 0.0 112.322 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.1 tt -112.31 31.07 6.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.87 -59.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.66 129.55 52.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.76 36.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 69.5 m-20 -127.42 -46.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -68.2 132.32 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -98.61 135.55 39.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 132' ' ' VAL . 1.6 mt -145.29 119.53 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.57 174.56 31.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.906 HD23 ' HB2' ' A' ' 130' ' ' ALA . 8.0 mt -144.85 156.29 43.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.48 -162.07 27.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.73 147.3 48.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.723 ' OG1' HD13 ' A' ' 129' ' ' LEU . 55.9 p -126.13 137.97 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 129.99 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.54 140.77 16.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 122' ' ' PRO . 29.2 t -118.87 124.43 73.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 m -115.06 134.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.32 145.81 24.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -134.78 135.92 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 60.23 175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -111.29 -37.85 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -71.9 -35.67 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -109.22 100.17 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -85.86 86.27 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.58 105.38 43.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HB2' HG13 ' A' ' 112' ' ' VAL . 41.4 Cg_endo -67.63 143.33 61.88 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.365 2.043 . . . . 0.0 112.245 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.77 86.07 2.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.1 128.97 13.56 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.592 2.195 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 125' ' ' VAL . 17.2 m -141.58 120.99 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 126' ' ' LEU . 4.3 pp -96.59 140.83 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 129' ' ' LEU . 1.7 mt -147.91 135.97 11.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 36.1 Cg_exo -60.87 139.56 85.73 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.408 2.072 . . . . 0.0 112.075 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.723 HD13 ' OG1' ' A' ' 109' ' ' THR . 1.8 mp -149.93 161.42 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.906 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -143.12 147.13 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.0 t -118.0 114.35 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.656 HG23 ' HG ' ' A' ' 104' ' ' LEU . 10.6 p -143.98 124.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.17 -163.7 27.3 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.572 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 101' ' ' ASN . 9.8 t80 -144.61 141.47 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.36 -142.59 42.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.87 -21.8 43.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.085 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.58 128.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.1 m -132.73 126.29 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -93.04 124.99 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -108.6 121.09 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 15.1 mtt -107.48 147.73 30.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 62.3 m -130.02 137.74 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -119.01 148.66 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 pt -107.63 141.82 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.51 170.04 21.16 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.502 2.135 . . . . 0.0 112.266 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.15 -177.33 29.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.6 t -90.25 109.76 20.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.11 31.2 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -97.2 83.0 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -139.98 109.22 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.59 28.02 13.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.09 -48.59 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.39 124.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.12 140.89 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.91 135.75 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -107.33 151.62 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -146.18 152.94 40.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.49 124.24 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -119.44 106.11 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.68 140.0 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.31 118.78 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -127.92 160.71 31.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.713 0.292 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -77.07 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.76 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' THR . 3.5 tt0 -70.49 -25.93 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.763 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -72.89 -31.81 64.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -48.14 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 5' ' ' GLU . 10.2 t -59.4 -41.32 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' GLU . 22.4 p -61.76 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -41.35 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -75.68 -38.24 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -61.63 -57.0 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -65.59 -33.82 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.08 -29.44 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -79.06 -30.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -70.78 -32.04 69.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -93.27 -46.49 7.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.835 0.265 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -99.44 -49.11 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 124.93 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -111.07 102.95 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.38 132.37 48.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 144.94 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 127.64 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.71 135.52 21.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.7 174.19 12.17 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.46 2.107 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.32 -157.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.46 161.86 34.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.96 149.96 18.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.81 134.51 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.11 -162.62 20.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.1 pt? -130.85 177.97 7.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -139.58 164.34 30.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.22 136.05 11.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -108.33 131.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -100.78 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -22.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -92.59 26.08 2.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.82 52.88 34.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.07 102.41 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -88.48 105.59 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.19 126.03 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.29 134.6 7.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.28 113.96 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -127.07 149.81 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.73 110.04 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 ttt -93.19 169.03 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.94 137.95 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -115.35 106.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -90.17 111.32 22.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.97 150.85 33.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -84.65 -17.02 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -52.87 -64.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -128.54 -76.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.57 169.24 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -72.41 151.06 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -115.06 124.93 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.38 147.4 22.81 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.472 2.114 . . . . 0.0 112.376 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' ILE . 1.4 tp -156.07 117.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.43 157.82 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.55 136.11 4.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -156.98 148.98 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.25 -168.93 35.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -107.75 149.89 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -140.94 145.27 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 p -121.56 103.69 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 93' ' ' THR . 9.9 t -77.97 119.06 20.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -113.28 153.82 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.61 137.86 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 -167.87 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.501 2.134 . . . . 0.0 112.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 138.04 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.54 31.15 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -168.9 122.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -106.44 -33.67 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -60.29 -31.19 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -82.67 132.68 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -121.23 138.32 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 104' ' ' LEU . 3.9 pp -150.44 122.98 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.31 -178.52 16.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.15 143.09 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -167.55 -174.93 37.03 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -114.16 146.97 39.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.84 114.45 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.44 121.18 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.446 ' O ' HG12 ' A' ' 125' ' ' VAL . . . -108.17 136.91 13.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.566 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.95 136.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.8 155.96 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.75 152.19 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -101.19 -179.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -79.91 -43.53 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.89 111.65 23.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -64.3 94.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -130.75 -48.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -105.8 168.46 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.9 pt -80.69 159.13 69.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.76 165.39 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.574 2.182 . . . . 0.0 112.254 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.01 86.39 53.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.03 156.6 55.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 111' ' ' GLY . 11.2 p -153.86 141.33 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.2 mt -93.64 134.68 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.8 99.87 4.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 141.86 42.32 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.556 2.17 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.749 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.0 pp -161.71 171.59 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.34 158.69 25.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -116.44 132.74 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.26 120.36 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.01 111.01 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.58 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.19 114.98 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.65 -150.89 30.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.13 -7.25 20.3 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.671 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 138' ' ' THR . 20.3 t -107.99 155.02 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.411 ' N ' HG12 ' A' ' 137' ' ' VAL . 2.7 p -136.28 138.3 41.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.71 145.97 47.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.481 ' CG ' HD13 ' A' ' 129' ' ' LEU . 32.8 tt0 -130.77 116.78 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mtt -104.62 135.94 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.749 HG23 ' HB3' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -103.55 146.03 29.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -129.86 134.66 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -124.34 110.78 28.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 145.46 58.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.388 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -106.25 45.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER 67.68 -69.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.424 ' CD1' ' HB ' ' A' ' 147' ' ' THR . 16.2 m-85 -105.93 29.27 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.63 88.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -175.28 138.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.93 90.66 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.583 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -64.28 167.81 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.87 132.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.17 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.06 150.34 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.81 134.96 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -143.34 140.07 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.4 ttm -96.94 146.61 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 144.92 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.84 122.72 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -100.93 119.34 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.02 152.56 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.1 -57.02 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.632 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.09 -25.99 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.681 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.58 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.79 -31.52 72.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -51.11 27.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -63.29 -33.14 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.66 -39.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -63.63 -31.6 72.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.56 -31.46 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -71.2 -52.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -36.37 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.54 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.92 -41.67 70.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -82.74 -30.92 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.67 -31.87 57.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.846 0.269 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -122.18 -52.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -77.94 128.3 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.476 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 5.8 m-85 -124.49 156.43 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.555 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.2 m-20 -121.21 142.89 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 25' ' ' ASP . 8.6 mp -131.68 126.41 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 126.32 52.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 tt -158.94 138.82 8.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.41 149.72 22.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.456 2.104 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.33 120.7 3.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.97 147.27 10.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.87 173.47 35.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -152.02 148.95 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.84 -174.29 28.35 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.476 HD21 ' CZ ' ' A' ' 24' ' ' TYR . 19.4 mt -128.97 163.03 26.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.18 165.94 28.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -145.51 147.08 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -86.84 137.72 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.3 129.29 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.84 -23.58 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.513 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.88 26.08 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.29 51.73 54.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -131.44 157.12 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -126.42 96.89 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 1.1 m-70 -106.38 141.65 37.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.57 160.35 24.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.95 155.88 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.54 142.47 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.66 115.26 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 177.66 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.99 140.76 40.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.25 150.09 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -112.55 140.29 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.41 175.15 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -79.53 -30.16 41.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.13 29.91 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.65 90.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -156.74 76.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.63 117.02 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.53 134.02 25.05 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.64 163.53 31.6 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.511 2.141 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.52 119.27 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.55 125.8 43.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.78 141.71 11.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -155.44 148.3 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.85 -159.29 21.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 41.0 p-90 -138.37 149.83 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -138.48 146.41 42.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.08 100.25 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -90.84 144.32 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -131.36 142.96 50.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 142.58 56.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.49 ' HD3' HD21 ' A' ' 104' ' ' LEU . 88.7 Cg_endo -82.89 7.35 5.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.723 2.282 . . . . 0.0 112.85 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER 64.89 157.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.475 ' H ' HD13 ' A' ' 97' ' ' LEU . . . 62.37 31.05 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -155.71 -58.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 59.87 37.17 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -146.11 -50.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.95 152.98 44.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.484 ' C ' HD23 ' A' ' 104' ' ' LEU . 12.2 p-80 -131.69 128.08 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -149.77 131.88 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -172.37 -163.26 25.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.36 170.97 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.49 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.37 144.94 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.814 HG22 HD22 ' A' ' 129' ' ' LEU . 9.7 t -131.68 147.01 52.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.99 122.66 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.785 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -108.17 119.49 5.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 122' ' ' PRO . 21.4 t -118.24 117.61 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 m -107.28 122.44 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -117.28 158.85 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -121.6 121.46 37.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.8 -29.04 32.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -57.8 -42.09 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -176.39 93.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -176.52 126.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -83.11 -60.49 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.2 135.74 19.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.768 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 71.8 Cg_endo -74.55 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.37 2.047 . . . . 0.0 112.384 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.9 mt -123.49 86.42 52.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.83 148.99 41.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.589 2.192 . . . . 0.0 112.354 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 111' ' ' GLY . 22.7 m -153.95 160.24 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mp -130.18 132.92 46.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.538 HD22 ' CG2' ' A' ' 144' ' ' ILE . 4.1 pp -148.02 147.48 26.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.22 158.01 52.71 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.534 2.156 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.814 HD22 HG22 ' A' ' 109' ' ' THR . 2.5 pt? -165.85 160.89 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.05 143.51 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 m -113.84 120.79 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 104' ' ' LEU . 11.4 m -141.7 130.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -161.92 175.19 38.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.571 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 137' ' ' VAL . 12.8 m-85 -135.4 115.0 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.67 -119.02 15.63 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.562 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.06 -37.31 2.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.548 2.165 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 134' ' ' TYR . 16.8 m -75.43 135.48 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.126 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 159' ' ' ARG . 18.1 m -138.04 148.01 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -130.53 141.67 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.03 121.93 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -114.62 125.37 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.9 p -115.41 144.87 43.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -111.66 113.21 25.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 155' ' ' PHE . 1.7 pt -125.8 99.9 31.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 137.88 33.96 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.506 2.138 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.82 -94.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.0 p -88.78 177.05 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -103.0 157.88 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -162.7 -63.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.17 35.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.14 34.75 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -174.99 149.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 153' ' ' VAL . 28.8 m -121.36 110.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -106.88 134.61 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 144' ' ' ILE . 49.2 m-85 -107.45 116.1 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.9 146.1 28.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -141.92 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 145.2 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 138' ' ' THR . 0.1 OUTLIER -152.01 151.03 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.14 147.05 48.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.86 124.95 50.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.49 144.88 25.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.649 0.262 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 8' ' ' THR . 71.0 m-20 -77.09 -57.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.602 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.89 -25.94 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -74.86 -40.48 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.5 mmt -76.36 -30.74 57.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 4' ' ' ASP . 17.4 p -59.17 -28.96 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 p -57.9 -34.79 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -45.4 41.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -35.18 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -39.18 84.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.36 -47.23 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.75 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.91 -36.79 72.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.85 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -81.86 -39.45 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.773 0.239 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -167.29 33.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -94.07 135.44 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.18 113.95 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -105.26 134.66 48.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.37 137.68 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 121.08 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 tt -140.69 126.62 11.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.85 121.67 8.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.2 -112.7 4.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.601 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.96 150.28 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.75 149.83 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.35 144.29 9.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -111.86 155.68 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.89 141.45 40.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -147.22 118.22 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.92 135.89 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 122.33 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.55 -21.83 18.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.393 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 26.12 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.234 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.17 52.13 38.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.56 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.03 154.68 49.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 115.44 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -110.12 132.63 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.12 127.34 3.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.17 153.69 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -126.91 118.05 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.05 110.06 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.679 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.4 tpp -114.01 163.63 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.1 138.19 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -130.15 153.03 48.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' CE2' ' A' ' 82' ' ' TRP . 10.0 tttp -98.45 102.87 14.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.15 156.85 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 t -70.43 -30.05 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -67.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -176.79 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.5 177.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 82' ' ' TRP . 6.4 m95 -112.89 147.59 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.53 124.83 65.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.88 150.17 20.82 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.157 . . . . 0.0 112.407 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 73' ' ' MET . 24.2 mt -141.93 116.99 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.03 157.93 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.95 162.21 27.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -143.13 133.83 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.31 169.4 24.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.642 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -131.84 149.07 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.28 153.06 41.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.4 m -103.71 132.25 50.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.47 134.6 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -151.93 139.08 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -120.51 101.89 45.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.39 -45.25 38.89 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.479 2.119 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.96 -179.23 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.94 41.48 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -107.69 -51.02 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.84 27.81 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 56.5 31.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.14 125.82 25.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -115.54 153.13 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 104' ' ' LEU . 10.1 tt -147.78 143.16 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.34 137.03 7.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -133.78 136.38 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.501 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 173.92 -166.54 38.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -126.02 159.59 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.5 p -132.85 146.98 52.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.11 113.95 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -102.63 124.25 8.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.504 HG12 ' CA ' ' A' ' 124' ' ' PRO . 17.7 m -115.98 131.39 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.1 p -135.48 154.01 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.79 159.01 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.79 -172.46 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -106.7 35.83 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -147.22 73.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 65.73 -76.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.95 -174.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.789 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.66 104.83 56.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.01 146.13 76.17 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.64 120.61 80.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.504 ' CA ' HG12 ' A' ' 112' ' ' VAL . 80.5 Cg_endo -78.01 166.0 25.49 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.132 . . . . 0.0 112.337 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.07 120.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tp -96.23 124.47 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.98 146.06 22.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.457 ' C ' HD12 ' A' ' 129' ' ' LEU . 59.6 Cg_endo -72.11 143.5 40.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.464 ' HG ' HG23 ' A' ' 142' ' ' THR . 3.5 mp -147.6 160.93 42.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -133.93 -176.57 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.4 p -170.32 157.55 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.94 123.38 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.02 113.13 4.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -129.63 114.92 16.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.14 -149.49 30.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.596 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.64 -10.84 27.27 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.609 2.206 . . . . 0.0 112.598 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.8 m -104.65 155.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.1 125.74 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.471 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -106.54 138.62 42.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.69 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.6 mtt -107.06 155.99 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' HG ' ' A' ' 129' ' ' LEU . 10.3 m -129.85 136.61 49.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.61 122.37 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.39 99.87 12.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.73 125.94 10.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.443 2.095 . . . . 0.0 112.325 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.12 172.12 41.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 t -105.42 77.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.15 -179.07 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -72.43 -34.84 68.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -106.64 -48.42 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.32 33.55 77.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.99 91.88 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.39 132.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -124.45 133.41 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.87 140.01 38.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.471 ' HB1' ' HE1' ' A' ' 139' ' ' PHE . . . -118.89 136.86 53.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 119.1 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.0 141.52 28.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 153.98 42.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.95 129.35 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.84 128.16 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.45 146.13 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.677 0.275 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.05 -57.09 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.76 -25.9 64.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.761 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -71.79 -30.19 65.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 tpt -59.37 -30.13 68.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 p -58.66 -36.06 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 m -75.52 -41.87 54.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -69.76 -31.04 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -56.12 -30.53 62.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -42.35 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.43 -41.88 84.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.85 -30.3 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.4 41.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.77 -44.86 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.9 m -59.44 -39.16 82.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.872 0.28 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -134.26 31.34 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -65.02 137.8 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -106.94 122.02 45.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -117.13 115.94 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tt -103.02 119.32 38.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -113.2 150.75 31.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.12 153.54 29.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.92 -168.15 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.159 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.95 171.73 4.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.558 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.2 141.41 3.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.16 -174.24 24.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -127.14 174.11 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.41 153.88 25.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.52 177.95 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -144.15 150.49 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -151.22 139.47 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -91.04 131.26 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -108.95 127.8 54.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.39 -22.22 11.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -91.22 26.09 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.255 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.45 51.28 53.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.5 m120 -131.99 157.01 45.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -131.01 90.14 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -70.39 137.21 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.72 131.73 6.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -88.36 142.55 27.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.684 ' N ' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -124.5 118.33 26.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.32 109.97 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.13 178.05 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.45 138.02 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 83' ' ' GLU . 16.8 p90 -113.15 122.23 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 140.41 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -120.01 169.19 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -71.16 -29.35 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -119.16 -42.06 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.39 119.34 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -53.95 140.96 29.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -59.95 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mm-40 -146.2 124.97 6.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.39 169.63 16.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.476 2.117 . . . . 0.0 112.417 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' ILE . 18.7 tt -155.91 123.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -123.65 144.36 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.24 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.34 177.17 43.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CE2' HD23 ' A' ' 70' ' ' LEU . 11.0 m-85 -119.31 151.49 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.03 157.61 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -114.52 147.27 39.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -146.94 152.97 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -129.21 114.1 15.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 p -81.61 143.77 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.88 154.35 50.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -97.13 144.74 28.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.03 -167.69 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.5 2.134 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -122.97 -43.83 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.79 42.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.58 156.63 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -116.75 -34.48 4.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.05 35.35 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -124.06 140.6 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -123.87 144.58 49.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.04 129.43 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -161.56 178.12 37.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -142.39 168.56 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.59 -173.34 44.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -130.16 137.44 50.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.598 ' OG1' HD21 ' A' ' 129' ' ' LEU . 59.8 m -112.51 130.08 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -113.75 114.04 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.13 143.98 15.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.22 127.56 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 m -103.68 113.93 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -128.84 122.62 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -69.83 151.59 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.69 -30.96 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 36.96 2.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -151.65 -177.91 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.86 -162.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.799 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 71.12 157.38 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.905 0.383 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.4 pp -71.89 153.48 92.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 121' ' ' ILE . 35.8 Cg_endo -65.1 -173.76 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.569 2.179 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 125' ' ' VAL . 7.8 tt -128.01 98.98 26.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.62 153.6 64.86 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.384 2.056 . . . . 0.0 112.224 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.437 HG13 HD23 ' A' ' 123' ' ' LEU . 10.5 m -153.97 129.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 5.6 mp -112.8 129.28 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 2.7 mt -138.18 125.14 13.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 39.2 Cg_exo -60.78 153.62 61.32 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.411 2.074 . . . . 0.0 112.188 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' OG1' ' A' ' 109' ' ' THR . 1.1 pt? -165.18 159.75 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.88 162.9 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.98 118.04 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.01 124.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.38 -167.98 41.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -145.93 146.96 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.23 -146.26 36.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.42 -17.35 44.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.3 113.61 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 127.83 34.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.42 130.71 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 115.98 28.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.9 mtt -101.34 126.53 48.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -117.23 140.05 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -109.49 159.05 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 144' ' ' ILE . 11.4 tt -134.15 100.0 13.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.27 139.61 53.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -139.01 111.6 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 148' ' ' TYR . 6.5 m -94.3 133.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 147' ' ' THR . 71.0 m-85 60.36 31.63 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -146.08 -169.99 3.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -167.14 160.21 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.97 29.25 4.4 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.96 115.34 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.5 m -107.71 129.95 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.76 137.59 55.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -106.01 119.61 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.71 133.01 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -129.2 144.21 51.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 23.1 mmm -92.73 147.88 22.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -137.8 135.71 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -117.92 146.94 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.26 140.47 36.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.99 118.65 14.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 163' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.637 0.256 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -56.99 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.6 -25.76 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.433 ' O ' HG22 ' A' ' 9' ' ' THR . 1.6 t-105 -76.29 -34.44 59.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 ttm -63.78 -38.5 91.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -43.05 92.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 6' ' ' TRP . 10.3 t -78.03 -31.42 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -74.98 -30.95 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -57.99 -35.11 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -78.89 -31.27 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -72.68 -48.19 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 10' ' ' PHE . 4.7 mt -63.35 -46.32 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -67.08 -47.28 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 m -64.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -46.31 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.792 0.247 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.31 82.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.574 ' HB3' HD23 ' A' ' 163' ' ' LEU . 29.0 p80 -151.93 152.91 33.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -84.17 143.34 29.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -122.89 126.49 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 132.89 55.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.44 113.55 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' CE ' ' A' ' 158' ' ' MET . 9.6 mt -129.73 136.02 28.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.51 101.16 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.431 2.087 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 8.4 m95 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 -81.98 1.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 -158.85 51.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.96 147.87 19.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.548 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 p90 -150.58 146.14 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.71 -144.97 5.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.73 169.08 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.71 140.9 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -109.39 147.6 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -113.43 144.67 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -124.94 130.67 52.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -56.28 -20.5 18.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.483 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -90.76 26.08 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.669 0.271 . . . . 0.0 111.287 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.59 54.25 27.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.584 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.12 114.76 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -104.89 97.7 7.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.97 148.9 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 121.66 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -132.04 123.57 27.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -152.98 132.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.97 118.35 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.94 143.33 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.22 139.01 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -105.99 108.91 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -83.09 135.99 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -92.63 -179.13 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.7 p -76.58 -31.18 57.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -112.79 -70.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -168.7 93.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.23 52.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -61.81 125.51 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -99.68 125.06 41.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.08 126.25 9.8 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.503 2.136 . . . . 0.0 112.318 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 86' ' ' ALA . 23.5 mt -149.67 154.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 85' ' ' ILE . . . -136.75 152.4 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.27 135.96 5.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.537 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -156.94 145.09 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.21 -172.9 32.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 22.0 m0 -101.1 149.99 23.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.41 131.55 30.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.54 111.3 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -95.47 142.55 27.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -123.42 126.79 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 2.5 ptt85 -124.47 101.82 33.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.626 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.0 Cg_exo -53.93 -49.31 17.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.457 2.104 . . . . 0.0 112.261 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 96' ' ' PRO . 5.9 mp -128.71 -50.72 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 95' ' ' ARG . . . 60.9 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.37 -57.09 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.09 -74.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -176.11 37.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -102.82 125.27 49.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 95' ' ' ARG . 71.0 m80 -133.07 149.01 52.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.56 123.84 15.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.56 -159.48 9.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.84 160.2 35.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.7 -170.29 26.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 90' ' ' TRP . 17.4 p90 -142.1 123.25 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.513 HG23 HD11 ' A' ' 129' ' ' LEU . 26.0 p -103.12 131.7 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.63 116.51 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.09 150.64 19.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.65 130.96 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 123' ' ' LEU . 2.8 t -135.1 110.25 8.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -108.0 138.25 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 110.82 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.49 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.68 37.27 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -159.96 -45.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.673 ' HB3' HD12 ' A' ' 121' ' ' ILE . 15.0 m120 -93.86 -178.65 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -133.02 37.68 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 119' ' ' ASN . 3.2 mp -119.84 92.92 47.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 55.8 Cg_endo -70.29 -168.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.547 2.165 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 4.0 tp -123.26 88.15 51.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 150.5 49.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.64 2.227 . . . . 0.0 112.312 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.98 123.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.55 139.41 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.405 HD21 ' CG2' ' A' ' 142' ' ' THR . 6.0 tp -148.03 108.05 3.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.487 ' C ' HD13 ' A' ' 129' ' ' LEU . 95.7 Cg_endo -80.05 144.06 16.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.544 2.163 . . . . 0.0 112.635 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.36 -178.96 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -116.71 144.18 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -110.21 126.67 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.93 114.97 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.65 111.01 4.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.55 114.96 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.823 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.23 -150.65 40.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -3.32 13.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.691 2.261 . . . . 0.0 112.75 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 138' ' ' THR . 21.3 t -116.02 155.09 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 111.211 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -126.11 144.61 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.43 145.97 48.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -132.69 152.38 51.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.93 118.46 21.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.405 ' CG2' HD21 ' A' ' 127' ' ' LEU . 23.8 m -93.97 116.87 29.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -141.78 121.78 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.8 mt -104.82 99.98 21.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 134.29 27.41 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -145.39 168.48 27.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.4 t -116.2 118.21 32.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 60.38 33.29 20.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.74 -43.19 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 60.55 175.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.12 42.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -81.83 120.84 25.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.58 123.25 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.76 115.47 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.04 139.93 38.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.73 140.22 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -129.93 147.27 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 28' ' ' ILE . 1.7 ttp -110.88 138.38 47.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.5 144.0 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -127.98 146.89 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -124.75 131.01 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.39 119.2 38.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 23' ' ' HIS . 4.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.645 0.259 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.17 -49.92 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -79.72 -25.87 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -68.34 -32.45 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -77.92 -31.13 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 p -69.21 -42.1 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -34.76 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.97 -31.02 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -56.34 -31.2 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -36.95 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 17' ' ' THR . 44.3 m-20 -70.41 -45.36 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.3 pt -65.22 -35.97 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.98 -56.73 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -56.22 -48.0 77.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ASN . 73.2 p -62.83 -29.74 70.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -59.44 -55.19 37.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.921 0.3 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -110.02 -31.91 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' HD23 ' A' ' 58' ' ' LEU . 13.2 m-70 -152.44 179.98 8.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.43 143.31 50.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -136.0 163.37 30.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -134.77 133.95 40.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.77 114.37 22.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.33 151.75 72.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.19 149.93 20.73 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.562 2.175 . . . . 0.0 112.369 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.414 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.9 165.42 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.45 45.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' HD13 ' A' ' 26' ' ' LEU . . . -178.53 -175.7 45.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.69 174.04 11.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.46 163.78 29.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 70' ' ' LEU . 7.2 mt -128.96 178.01 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 151.46 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.78 169.85 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 67' ' ' TRP . 43.3 m95 -110.62 138.83 46.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -114.62 126.14 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.63 -21.83 11.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.45 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 26.05 2.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.265 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.59 65.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.399 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -132.02 157.09 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.318 . . . . 0.0 111.007 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 61' ' ' TRP . 24.2 m95 -118.58 98.63 6.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -68.03 142.94 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.51 125.09 2.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 58' ' ' LEU . 7.4 tt -89.83 150.42 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.561 ' N ' HD23 ' A' ' 70' ' ' LEU . 65.8 m-85 -139.99 120.85 14.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 110.01 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.3 mtt -117.34 162.34 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.12 137.94 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.11 157.07 35.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.38 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.58 151.04 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -79.09 -3.22 44.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -139.44 -47.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -83.8 -171.33 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -172.33 2.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -62.42 128.23 35.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -100.64 124.93 40.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.28 163.07 25.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.406 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -147.94 117.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -97.34 148.31 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.39 145.37 11.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.483 ' HE1' HD12 ' A' ' 70' ' ' LEU . 63.0 m-85 -156.89 116.19 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.41 169.03 25.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.622 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -121.56 121.78 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -111.57 153.02 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.44 121.36 44.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 t -74.08 145.32 44.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.91 107.91 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -109.36 146.9 34.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 179.52 5.32 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.473 2.115 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 tp -106.75 63.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.44 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -106.86 131.98 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.39 34.3 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -107.71 -51.54 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.43 118.95 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -106.18 134.48 49.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.98 135.42 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.6 130.97 5.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.4 OUTLIER -148.21 128.4 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 178.7 -159.94 25.4 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.562 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 126' ' ' LEU . 55.6 m-85 -113.79 162.82 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.3 m -139.28 118.07 12.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 114.07 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -124.84 156.9 18.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 86' ' ' ALA . 5.1 m -116.0 140.13 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 135.43 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.4 139.89 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -174.79 91.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.46 -174.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -92.75 -52.52 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -98.18 105.76 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.82 108.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -132.37 -69.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.45 139.2 34.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 177.97 8.07 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.541 2.161 . . . . 0.0 112.393 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -113.34 89.16 14.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.98 152.22 73.34 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 m -150.03 123.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -115.97 123.69 48.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 127' ' ' LEU . 2.1 mp -146.43 156.55 49.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.9 147.77 94.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.571 2.181 . . . . 0.0 112.154 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.33 148.21 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.64 133.75 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.9 p -117.11 150.4 38.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.3 118.81 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.03 114.14 4.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.89 114.96 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.52 -150.49 38.04 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.74 -5.99 17.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.645 2.23 . . . . 0.0 112.731 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.3 m -112.34 155.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.68 125.15 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.39 143.6 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.14 147.29 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 28.7 mtt -154.98 133.76 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.7 t -114.58 135.46 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.91 157.59 17.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 tp -100.64 133.01 21.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.2 132.25 20.68 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 145.7 146.65 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.476 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.14 33.73 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.44 167.47 2.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.63 118.69 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.4 170.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.95 28.51 56.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.25 149.72 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.73 129.45 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -111.82 138.31 48.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -104.07 133.65 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.75 168.02 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.97 162.31 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.3 mmt -110.41 138.44 46.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -129.44 152.35 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.54 141.76 46.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.26 118.22 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -105.1 124.67 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.722 0.296 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -76.95 -57.06 4.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.36 -26.0 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -78.98 -30.58 44.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -59.65 -39.97 86.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -30.89 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -68.98 -52.58 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -59.56 -30.54 68.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -45.44 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 3.0 m-80 -61.87 -41.14 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 10' ' ' PHE . 18.2 mt -73.14 -30.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.5 -55.09 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.82 -31.54 69.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 27.6 p -72.23 -30.02 64.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -75.22 -44.84 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.724 0.218 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 62.71 110.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -143.29 135.59 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -90.22 135.46 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.67 121.39 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.43 129.42 55.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -124.98 112.98 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -139.97 138.78 20.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.8 161.61 4.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.066 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.722 0.296 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.38 54.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.82 176.78 47.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.25 161.33 26.02 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -149.01 139.59 22.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.95 -164.79 30.81 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.13 178.04 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -154.49 170.76 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 138.05 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -103.83 136.05 44.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.5 120.69 42.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.36 -23.24 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -26.11 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 42.5 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -132.03 155.2 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -140.18 101.45 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -98.96 137.29 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.66 124.35 2.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.646 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 88' ' ' TYR . 4.9 tp -121.2 128.87 52.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.651 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 p90 -158.19 166.04 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . . . -108.6 109.91 21.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.7 ttt -99.21 171.97 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.636 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.53 137.96 4.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.368 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -128.21 106.9 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.482 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 82' ' ' TRP . 35.3 mttm -125.51 129.02 48.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.51 -169.29 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -86.8 -28.94 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.28 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -106.03 -159.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.24 27.57 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -64.51 157.3 27.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -154.27 157.26 32.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.185 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.68 153.46 26.37 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.411 HG22 ' OG1' ' A' ' 113' ' ' THR . 2.1 pp -156.05 133.8 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.211 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 72' ' ' ALA . . . -135.62 158.04 45.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 -162.39 36.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.529 ' HB3' HD12 ' A' ' 70' ' ' LEU . 31.5 p90 -131.47 153.01 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.38 130.8 6.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -108.82 137.75 46.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -154.98 153.07 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -100.75 122.04 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -93.78 147.74 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -144.69 148.25 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 101.95 48.91 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -46.29 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.11 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.53 178.45 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.48 37.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.18 -66.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -141.56 -47.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -176.61 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.99 103.29 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 134.07 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.681 ' HG ' HG13 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -152.52 116.0 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.1 175.02 34.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' A' ' 130' ' ' ALA . 3.2 mp -142.84 169.33 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.25 -161.34 30.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -133.68 132.92 41.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -96.14 120.66 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.3 125.24 46.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.08 162.3 23.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.7 m -146.13 143.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.228 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 85' ' ' ILE . 29.2 m -112.44 125.47 54.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.64 143.44 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -90.28 -179.35 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.84 -35.34 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -76.24 -27.8 56.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 63.79 91.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.61 139.74 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 60.19 -177.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.5 pp -71.98 148.03 91.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.636 ' O ' HD12 ' A' ' 121' ' ' ILE . 56.0 Cg_endo -70.37 -168.06 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.617 2.212 . . . . 0.0 112.288 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.2 90.6 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.06 149.14 71.05 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.498 2.132 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 144.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mp -136.91 126.15 24.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -133.84 133.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.37 126.02 9.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.759 HD11 HD12 ' A' ' 127' ' ' LEU . 3.4 mp -129.83 170.88 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.439 ' HB2' ' HG ' ' A' ' 106' ' ' LEU . . . -141.94 123.4 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -90.94 114.05 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.681 HG13 ' HG ' ' A' ' 104' ' ' LEU . 21.4 t -143.72 122.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.89 -168.29 40.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.98 147.09 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.49 -148.31 44.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.24 -11.28 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.599 2.199 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.32 128.77 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.01 131.38 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -102.19 138.66 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -114.41 139.3 49.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.4 tpp -121.09 118.87 30.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.54 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -150.52 124.14 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 144' ' ' ILE . 3.8 mp -86.14 122.92 72.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 169.85 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.464 2.11 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.5 135.2 4.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 79.13 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.92 141.3 40.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.79 37.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -163.69 115.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 98.1 29.65 7.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.0 90.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 153' ' ' VAL . 27.0 m -98.57 120.98 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -127.7 124.04 36.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.62 151.77 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.4 139.59 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 129' ' ' LEU . 9.5 m0 -121.19 165.7 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.2 mtt -104.83 145.54 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -129.84 135.09 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.2 124.14 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -98.69 113.04 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -94.43 137.27 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 163' ' ' LEU . 13.1 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.04 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 9' ' ' THR . 1.5 mp0 -70.4 -26.01 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.32 -43.54 70.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.08 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -59.58 -39.61 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 5' ' ' GLU . 69.7 p -69.76 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.81 -38.07 89.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -70.96 -31.3 67.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.61 -56.99 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 pt -70.47 -34.11 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.46 94.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -33.5 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 m -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -73.83 -29.24 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -94.3 -68.96 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -158.96 170.42 22.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -115.17 140.98 48.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -141.18 124.49 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -102.21 146.64 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 124.98 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.5 149.57 44.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 177.65 5.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.7 172.95 23.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.56 166.63 18.05 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.15 141.86 13.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.42 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 7.4 m-85 -148.0 153.62 39.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' HD12 ' A' ' 58' ' ' LEU . . . 172.89 -166.54 39.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.8 mp -135.16 176.53 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 142.48 43.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -107.03 142.08 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -108.32 135.95 48.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 2.8 t0 -110.23 130.77 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -14.82 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.498 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.88 26.03 2.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.745 0.307 . . . . 0.0 111.308 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.8 48.22 28.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.661 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.06 154.05 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.73 103.08 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 70' ' ' LEU . 1.3 t-80 -81.4 126.0 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.25 109.92 2.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.571 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 68' ' ' HIS . 4.2 mp -123.46 130.26 52.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.06 156.82 42.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.21 113.67 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.426 ' HG3' HD12 ' A' ' 85' ' ' ILE . 5.0 ptt? -111.53 154.1 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 152.38 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -138.05 155.7 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 97.0 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -173.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.4 m -81.59 -2.97 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.428 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.2 20.58 8.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.718 0.294 . . . . 0.0 111.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.2 m120 54.3 30.52 12.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.18 45.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -87.29 113.14 22.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.21 124.97 85.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.33 143.45 19.69 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.123 . . . . 0.0 112.405 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.426 HD12 ' HG3' ' A' ' 73' ' ' MET . 22.7 mt -134.9 116.99 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.41 139.91 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.02 136.02 5.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.37 -179.47 42.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -122.96 145.51 48.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.82 153.0 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 t -113.01 128.29 56.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.96 136.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -148.58 159.0 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -130.62 148.05 68.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HG2' ' CE1' ' A' ' 102' ' ' PHE . 50.5 Cg_exo -53.66 -172.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.586 2.191 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tp -102.77 31.82 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.98 -64.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.67 170.82 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -109.96 54.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -102.42 -49.54 3.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 96' ' ' PRO . 45.9 p90 -111.47 136.26 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -116.47 162.14 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.72 124.62 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.68 147.81 18.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.53 126.66 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.54 -160.02 23.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 149.04 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -132.79 117.18 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.83 139.16 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 176.38 21.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.04 137.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.282 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.44 137.44 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.77 123.04 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -169.68 117.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.56 171.0 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.86 -68.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -76.81 -67.88 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -173.51 142.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -171.27 169.59 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 tp -93.43 135.09 25.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.61 167.44 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.592 2.195 . . . . 0.0 112.081 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.03 88.5 5.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.19 131.11 10.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.619 2.212 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.73 121.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.9 118.5 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.493 ' O ' HD12 ' A' ' 129' ' ' LEU . 16.0 mt -147.87 156.04 44.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.26 130.93 23.7 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.6 2.2 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.728 ' CD1' HG23 ' A' ' 142' ' ' THR . 6.4 mp -122.3 170.56 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -151.42 124.32 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m -123.35 162.04 23.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 139' ' ' PHE . 29.6 m -131.42 135.8 58.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.01 113.17 4.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.588 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.44 115.01 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.09 -150.24 40.44 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 -4.08 14.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.581 2.187 . . . . 0.0 112.791 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.636 HG12 ' CE2' ' A' ' 160' ' ' PHE . 29.6 m -114.49 155.09 15.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 111.236 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.4 m -134.03 108.17 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.457 ' HB3' HG22 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -71.03 146.0 49.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -136.18 160.06 39.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.816 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.94 158.49 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.728 HG23 ' CD1' ' A' ' 129' ' ' LEU . 3.1 m -132.0 126.16 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -148.16 140.87 24.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.458 HG13 HD22 ' A' ' 127' ' ' LEU . 3.7 mp -92.62 110.78 47.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -50.98 158.49 3.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.486 2.124 . . . . 0.0 112.383 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.4 -156.2 18.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.6 t -176.75 147.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -140.96 -47.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -162.9 -65.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -100.4 -35.2 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.62 27.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.48 -169.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.78 130.47 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.37 136.47 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -105.05 138.07 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.09 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.49 157.11 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 11.4 ttm -134.18 149.98 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -151.86 128.2 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . 0.636 ' CE2' HG12 ' A' ' 137' ' ' VAL . 97.7 m-85 -100.89 146.98 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -110.71 130.2 55.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.25 138.49 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.695 0.283 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.96 -57.12 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.693 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 8' ' ' THR . 4.4 mt-10 -69.72 -25.9 64.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -74.73 -32.19 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mtt -78.11 -46.52 20.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 5' ' ' GLU . 9.3 t -59.39 -46.94 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 8' ' ' THR . 10.7 t -59.84 -44.26 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 9' ' ' THR . 1.2 t80 -68.67 -46.09 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -34.86 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.03 -34.48 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 17' ' ' THR . 5.7 t-20 -67.43 -52.04 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -64.19 -33.2 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.065 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 13' ' ' ASN . 3.5 t -58.63 -30.43 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.877 0.282 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -95.86 -46.61 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -145.6 126.83 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -79.32 133.52 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.84 150.37 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' CE1' ' A' ' 162' ' ' PHE . 1.3 tt -133.39 125.32 28.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -91.83 114.41 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 HD22 ' A' ' 26' ' ' LEU . 2.8 pp -146.57 155.07 49.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.13 177.41 3.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.7 m0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.82 0.343 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.76 100.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.56 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.91 -157.33 26.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 26.7 m-85 -136.48 174.03 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.53 170.57 43.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mp -127.28 177.89 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.15 157.39 43.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -145.49 149.84 35.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -94.74 139.74 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -114.6 127.11 55.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -51.36 -23.36 3.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.625 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 26.11 1.8 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.68 0.276 . . . . 0.0 111.312 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.27 48.13 87.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.0 130.19 41.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -108.29 99.29 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 138.54 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.75 120.19 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.542 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 70' ' ' LEU . 3.8 pp -123.7 120.97 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 27' ' ' TYR . 55.5 p90 -140.99 162.73 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.87 119.24 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ptp -117.6 172.54 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.09 142.4 26.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -112.31 126.21 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -122.03 115.71 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -175.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -31.26 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -83.45 -77.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -170.2 34.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.88 81.17 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -111.48 131.54 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.13 141.59 18.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.07 156.65 38.36 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.599 2.199 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.4 mt -150.36 124.27 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -114.47 157.91 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.6 136.76 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 70' ' ' LEU . 11.3 t80 -157.01 128.89 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.02 -159.66 15.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 51.4 p-90 -138.38 150.01 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.96 143.09 33.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 m -88.31 111.11 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 p -79.89 148.88 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.4 136.02 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -123.41 151.56 63.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 -23.02 28.76 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 0.0 112.415 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.06 79.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.54 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -109.56 -25.82 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 63.69 79.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -152.72 -46.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.31 111.0 21.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.76 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 132' ' ' VAL . 3.9 pp -111.24 148.09 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.633 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -154.6 161.14 30.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 tt -159.62 140.74 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.56 -159.98 23.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 6.8 m-85 -120.32 149.32 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.518 HG21 HD21 ' A' ' 129' ' ' LEU . 68.7 p -129.94 136.56 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 114.02 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.2 136.97 13.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 25.8 m -116.01 139.49 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -146.36 131.49 18.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.04 130.31 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -153.16 102.77 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -168.14 -178.2 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -104.01 112.14 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.4 m0 59.9 36.27 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 121' ' ' ILE . 1.5 t-20 -145.33 161.73 38.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -139.44 77.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.45 HG23 ' OD1' ' A' ' 119' ' ' ASN . 1.6 pt -108.27 109.81 61.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 119.78 6.81 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.78 98.99 7.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.27 156.53 64.34 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.354 2.036 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.656 ' O ' HD23 ' A' ' 127' ' ' LEU . 21.7 t -149.19 130.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.18 120.07 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -144.42 99.95 4.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.789 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 55.8 Cg_endo -70.13 141.37 43.56 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.496 2.131 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 109' ' ' THR . 1.7 pp -155.36 170.9 20.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 105' ' ' GLY . . . -148.46 157.49 43.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 p -130.62 130.49 44.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 104' ' ' LEU . 17.4 m -139.56 132.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.46 -149.08 21.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.616 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.86 ' O ' HG23 ' A' ' 138' ' ' THR . 0.1 OUTLIER -94.41 147.27 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -45.98 -58.53 5.54 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 25.7 Cg_endo -62.24 -30.77 81.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.417 2.078 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 137' ' ' VAL . 6.0 m -136.84 110.92 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 134' ' ' TYR . 0.7 OUTLIER -134.79 148.03 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.469 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 3.8 t80 -102.28 124.69 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.09 139.84 39.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.13 118.18 30.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -103.46 127.1 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.46 119.52 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 153' ' ' VAL . 4.4 mt -84.95 129.73 55.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -73.55 127.48 11.78 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 90.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.56 -57.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -158.35 -46.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -152.65 169.79 21.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.63 33.09 8.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.27 103.84 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' ILE . 8.9 p -133.14 148.2 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -107.25 127.58 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -105.89 120.25 41.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 139' ' ' PHE . . . -114.51 155.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -148.19 138.62 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.9 mtt -90.85 144.85 25.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.26 135.6 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.08 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -126.17 115.29 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 26' ' ' LEU . 27.9 p90 -136.95 -175.16 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.83 0.348 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.07 -46.78 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.88 -22.11 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.326 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.04 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.709 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -25.98 62.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -76.8 -30.92 56.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -42.22 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -58.82 -31.06 68.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.59 73.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.97 -37.88 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -30.86 66.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -30.66 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.41 -43.05 58.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 17' ' ' THR . 36.6 mm -67.0 -30.91 51.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.22 74.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -49.13 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 14' ' ' ILE . 7.3 t -60.11 -36.17 76.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -62.68 -36.86 84.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -28.18 39.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 62.64 149.12 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.52 -175.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.573 2.182 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.7 64.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.65 133.0 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.47 106.53 9.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -100.44 141.85 32.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.77 118.26 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.8 113.01 24.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.07 136.28 27.36 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 151.29 26.35 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.455 2.104 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.77 110.23 19.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pt -122.83 166.54 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.249 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.401 HG22 ' CD2' ' A' ' 34' ' ' HIS . 17.9 m -162.79 107.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -65.02 -77.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.401 ' CD2' HG22 ' A' ' 32' ' ' THR . 1.7 m-70 62.83 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.04 158.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -71.03 -40.1 71.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -138.41 126.11 22.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.38 91.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -75.81 130.36 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.68 165.38 13.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -120.87 129.87 53.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -85.38 141.65 29.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.49 169.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 m 61.15 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.46 -177.71 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.02 -172.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -82.98 157.22 23.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -81.27 153.75 26.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.89 117.51 30.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 91.69 2.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.46 112.19 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.445 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -103.43 -49.79 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.56 -155.63 23.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.499 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.57 14.22 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.56 162.58 25.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.8 p90 -148.42 142.82 26.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -166.9 -162.35 18.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 57' ' ' GLY . 4.5 mp -141.19 176.9 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.49 158.44 34.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -139.07 141.9 38.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 46.3 p-90 -104.44 142.18 35.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -120.38 124.09 44.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.25 -21.1 21.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -91.13 25.99 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.274 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.72 52.36 39.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.05 133.83 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -115.4 102.04 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.73 130.78 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.17 109.99 1.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.7 120.13 38.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.766 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -144.41 146.81 32.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.98 109.97 11.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.75 140.83 36.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.92 138.36 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -114.77 128.41 56.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -115.29 113.11 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.07 168.61 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -82.46 -31.89 29.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -153.05 65.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -162.22 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 179.83 167.69 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -115.04 146.23 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.96 125.35 14.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.63 167.63 26.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.475 2.117 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mt -149.5 127.52 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -101.33 149.51 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.2 136.02 4.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -146.4 147.17 31.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.52 -168.45 32.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.563 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -131.81 147.26 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.1 152.04 31.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -109.62 117.32 33.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.4 m -88.82 122.48 32.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -109.23 126.27 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -107.35 139.36 20.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.09 174.37 10.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.491 2.127 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.38 75.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.74 -65.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -155.66 171.13 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.36 61.63 2.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.72 -39.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -126.98 121.8 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.68 142.97 44.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.72 127.33 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.85 171.26 23.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 107' ' ' GLY . 0.6 OUTLIER -160.71 150.43 17.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.463 ' N ' HD23 ' A' ' 106' ' ' LEU . . . 172.64 -162.67 34.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -116.49 147.63 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -132.76 137.5 46.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.18 149.91 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.639 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -140.47 141.77 11.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.2 m -124.89 124.5 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.809 0.337 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -112.3 120.26 41.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.578 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -130.19 150.62 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.411 ' NH1' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -144.85 -177.61 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -169.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.16 -179.77 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -91.98 85.11 5.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -157.75 -53.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.17 178.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.1 pt -104.34 145.04 29.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 65.9 Cg_endo -73.94 -168.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.359 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.411 HD13 ' NH1' ' A' ' 115' ' ' ARG . 7.5 mp -126.97 92.39 44.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.49 147.12 70.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.112 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 111' ' ' GLY . 7.3 m -152.04 143.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.59 117.35 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.7 mt -137.65 147.63 58.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.3 146.42 50.85 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.53 2.153 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 140' ' ' GLN . 0.5 OUTLIER -142.72 152.97 42.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.473 ' N ' HD23 ' A' ' 129' ' ' LEU . . . -123.2 140.71 52.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.4 t -103.64 135.13 45.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.25 116.18 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.83 111.03 4.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -124.72 115.0 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.56 -150.33 38.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.35 -6.55 19.03 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.634 2.223 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 22.0 t -111.75 154.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.898 0.38 . . . . 0.0 111.191 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 10.2 m -118.05 144.04 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -127.34 133.84 50.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.664 ' HB3' HD21 ' A' ' 129' ' ' LEU . 35.3 mt-30 -125.36 118.74 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.5 mmm -94.1 144.05 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.09 124.1 51.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -105.55 144.97 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.96 99.95 6.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.42 151.94 65.63 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.458 2.106 . . . . 0.0 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.92 146.28 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 10.7 m -104.24 97.93 7.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -137.45 -71.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -115.59 -61.65 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -105.41 -51.56 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.4 28.55 73.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -172.0 35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.6 m -86.2 133.36 29.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -112.98 129.53 56.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.93 162.18 13.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -142.75 139.77 31.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -137.43 151.78 48.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.7 ttp -94.11 140.63 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.04 137.57 39.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -88.4 124.76 34.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.9 117.07 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.1 mp -112.83 92.18 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.65 134.06 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -165.03 78.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -102.51 177.18 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.56 153.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -159.38 35.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -159.59 119.73 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 14.3 m80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.89 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.747 0.308 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -166.26 170.37 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -17.23 62.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.491 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.99 -57.11 4.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.619 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -25.99 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.771 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -57.87 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -60.2 -42.37 94.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -65.05 -49.55 69.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.83 -31.65 71.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -74.23 -31.73 62.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.79 -53.06 23.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' ALA . 3.2 tt -60.47 -44.68 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -59.8 -35.24 74.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -52.81 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -31.9 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -48.25 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -79.64 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.36 149.5 81.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 44.7 Cg_endo -68.54 -47.88 1.29 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 58.47 33.73 23.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' O ' HD13 ' A' ' 58' ' ' LEU . 17.3 m170 -63.18 127.68 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -94.06 111.7 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.799 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.05 119.55 33.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.13 142.49 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 159' ' ' ARG . 7.6 m-85 -120.06 134.59 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.31 152.93 65.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 -171.37 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.55 2.167 . . . . 0.0 112.239 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.9 175.88 9.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -133.83 122.05 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 p -127.42 -44.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -46.84 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.07 128.81 54.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.0 108.38 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -129.55 -45.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 61.93 152.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.47 128.99 38.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -124.76 104.9 8.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.21 157.19 33.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.21 -46.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -123.11 162.16 23.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 113.54 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.81 -57.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.71 -37.28 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.69 157.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -96.91 141.86 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -67.29 123.15 19.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -91.11 119.2 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -161.95 95.11 1.28 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.64 175.57 6.02 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.484 2.123 . . . . 0.0 112.237 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -114.02 40.68 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 138.89 178.63 16.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.541 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.23 147.67 5.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.53 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -114.7 145.15 18.58 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -152.0 152.79 32.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.528 ' O ' HD22 ' A' ' 58' ' ' LEU . . . 178.42 -163.52 31.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 57' ' ' GLY . 0.9 OUTLIER -133.55 173.51 11.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.2 p -133.46 145.64 50.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -108.74 145.85 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -100.82 108.18 19.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.1 122.33 30.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.59 -15.52 58.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.486 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.72 26.06 2.86 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.299 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.02 46.47 44.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.56 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.08 144.25 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.05 92.01 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.95 143.37 55.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.06 110.0 0.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.7 mp -124.05 123.07 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -155.49 151.54 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 159.61 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.0 ttm -133.97 163.55 29.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.78 138.02 26.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.97 106.98 17.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.89 130.24 34.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -117.72 -177.46 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -12.3 30.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.372 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.03 15.93 12.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.361 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 55.29 81.52 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.767 0.318 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -177.07 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 82' ' ' TRP . 39.3 p90 -77.93 126.15 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 124.87 61.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.7 143.66 10.82 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.653 2.235 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 85' ' ' ILE . 8.2 tp -156.03 124.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.01 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.66 158.05 19.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.73 135.99 4.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.591 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 34.2 p90 -146.86 136.48 23.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.61 179.38 33.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m0 -106.05 141.92 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -132.93 141.64 48.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -126.57 120.47 29.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.9 p -80.69 128.21 33.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -125.6 154.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -106.43 101.91 38.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.5 133.96 25.35 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.455 2.103 . . . . 0.0 112.25 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.59 81.16 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.27 -65.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -176.02 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.4 -45.55 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -136.23 62.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.07 102.49 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 128.36 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 132' ' ' VAL . 7.2 tt -136.02 124.21 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 104' ' ' LEU . . . -141.45 163.59 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.5 161.89 22.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.22 177.85 46.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -125.81 127.57 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.551 ' OG1' HD22 ' A' ' 129' ' ' LEU . 61.8 m -99.73 131.72 45.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -103.75 115.3 30.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -99.3 122.77 7.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.03 135.15 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.422 HG22 HD13 ' A' ' 85' ' ' ILE . 66.0 p -105.82 147.71 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -86.79 159.03 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 142.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.29 31.78 0.91 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -139.14 33.73 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 60.54 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 59.97 107.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.91 141.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.404 ' CD1' ' HD2' ' A' ' 122' ' ' PRO . 4.5 tp -79.56 135.86 56.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' CD1' ' A' ' 121' ' ' ILE . 66.6 Cg_exo -51.19 159.87 2.5 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 90.53 3.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.86 154.89 66.82 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.478 2.118 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 126' ' ' LEU . 21.6 t -152.06 159.06 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.478 ' N ' HG12 ' A' ' 125' ' ' VAL . 1.7 mp -142.35 115.01 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.4 mt -135.8 142.64 41.38 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.813 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.59 138.22 23.81 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.46 2.107 . . . . 0.0 112.391 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.725 ' CD2' HG22 ' A' ' 142' ' ' THR . 5.7 mp -132.54 173.9 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 141' ' ' MET . . . -148.56 167.93 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.86 121.51 11.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 104' ' ' LEU . 21.5 t -141.23 122.95 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.76 -168.22 40.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -141.43 145.99 35.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.58 -144.06 41.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 160' ' ' PHE . 43.7 Cg_endo -68.16 -19.84 44.36 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.518 2.146 . . . . 0.0 112.393 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.96 111.8 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 131.76 31.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.4 129.89 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.07 116.18 31.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 3.0 mmt -92.68 133.52 35.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.725 HG22 ' CD2' ' A' ' 129' ' ' LEU . 75.4 p -126.9 140.59 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -109.99 113.67 26.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.58 99.9 7.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.58 148.0 58.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.522 2.148 . . . . 0.0 112.316 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -60.8 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.4 m -116.1 151.28 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -99.23 31.14 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -137.4 29.81 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.31 -43.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.07 37.07 2.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 26.3 m120 60.65 106.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.77 99.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.62 133.4 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -108.18 164.01 12.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -133.55 155.07 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -133.31 148.77 51.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 16.8 mtm -89.16 138.24 31.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 27' ' ' TYR . 1.6 ttm180 -122.8 130.46 52.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 136' ' ' PRO . 0.6 OUTLIER -133.6 135.84 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -86.3 139.63 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 160' ' ' PHE . 96.6 m-85 -133.79 175.23 9.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.17 92.66 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -138.41 145.43 40.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -108.98 105.25 14.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -145.08 101.66 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -144.38 -170.87 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -95.11 157.17 16.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -102.91 115.22 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 t60 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.937 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ttm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -133.06 28.03 4.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.04 -20.49 57.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.393 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.15 -57.14 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.366 . . . . 0.0 110.649 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.18 -25.9 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -76.78 -31.0 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.3 mmm -77.4 -41.63 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.0 p -61.11 -29.77 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -42.06 85.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -38.94 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.68 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mm -73.61 -31.03 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.77 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -69.93 -45.05 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -59.82 -31.85 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -83.85 -61.5 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.64 -75.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.75 143.19 94.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.88 150.81 39.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.61 2.207 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -167.99 33.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -121.76 144.08 49.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -115.84 103.14 10.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 152.91 21.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.15 119.16 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -93.69 112.97 24.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 155.73 80.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.95 159.77 50.25 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 112.274 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 152.25 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' ILE . 8.1 tp -166.58 120.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -129.42 -177.93 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -122.48 -43.59 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.01 -50.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -113.54 78.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -98.99 179.55 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -64.74 118.39 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -120.5 147.41 45.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -72.33 -177.47 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.01 79.67 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -161.49 164.47 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 160.92 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -92.87 131.71 37.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.0 149.18 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -106.1 79.9 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -67.44 142.5 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -121.55 122.64 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.0 mtt85 -128.85 147.77 65.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.08 139.71 33.16 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.504 2.136 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -158.53 120.9 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.8 -84.65 1.34 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.5 164.26 17.1 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -123.44 151.27 16.94 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -151.98 131.13 12.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.4 -151.04 6.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.55 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mp -141.59 176.15 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.6 m -135.45 160.61 37.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -136.22 162.15 33.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -115.58 133.7 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.77 126.48 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -58.31 -19.39 34.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -91.62 26.11 2.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.314 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.23 49.92 49.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.543 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -132.05 154.41 49.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -122.39 115.39 22.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -96.09 126.09 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.32 111.23 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.4 pp -129.25 130.05 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -153.91 151.02 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.21 124.79 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.8 mtm -92.37 171.78 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.68 138.02 19.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.12 152.39 41.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -105.54 110.09 22.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.99 161.85 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -93.0 -16.77 24.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 2.3 p-90 -152.86 30.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -153.44 -166.99 2.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -91.7 163.15 14.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.437 ' CD1' ' HG2' ' A' ' 76' ' ' LYS . 10.8 m0 -60.2 142.27 54.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.84 124.94 29.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.71 157.34 35.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.494 2.13 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.49 HG23 HG22 ' A' ' 113' ' ' THR . 4.0 mp -142.91 142.99 25.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 146.38 40.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.76 137.86 7.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -144.68 130.03 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.2 151.97 24.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -128.66 119.97 25.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -138.94 152.92 48.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -109.08 127.15 53.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.6 p -99.3 150.02 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.65 154.58 51.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 101.9 14.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.18 -169.76 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.482 2.122 . . . . 0.0 112.213 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mp -99.71 -33.79 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.5 69.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.23 147.33 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -112.38 -28.3 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.76 31.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -127.08 120.9 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -104.94 151.45 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tp -143.56 125.32 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.37 163.37 31.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.71 160.24 39.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -165.72 35.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.547 ' HB3' HD21 ' A' ' 126' ' ' LEU . 38.6 m-85 -119.49 129.29 54.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 129' ' ' LEU . 1.4 p -109.33 113.42 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.64 159.59 15.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.21 129.61 2.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p -116.09 140.88 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.49 HG22 HG23 ' A' ' 85' ' ' ILE . 23.3 p -120.02 159.46 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -114.63 142.01 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.631 ' NH2' HD22 ' A' ' 123' ' ' LEU . 11.3 mtm-85 -154.93 136.23 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.85 41.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -104.15 109.46 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 67.28 -72.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.54 177.07 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -131.37 30.92 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.2 mm -109.53 127.15 27.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 161.79 4.74 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.371 2.047 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.631 HD22 ' NH2' ' A' ' 115' ' ' ARG . 5.5 mp -110.42 86.11 5.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.63 156.8 60.36 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.9 t -152.24 146.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 108' ' ' PHE . 1.1 tt -134.26 126.86 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 127' ' ' LEU . 6.5 tp -147.85 138.86 13.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.62 137.62 50.94 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.528 2.152 . . . . 0.0 112.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.669 HD21 ' HG2' ' A' ' 140' ' ' GLN . 8.2 tt -143.78 152.8 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.73 138.97 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.6 p -106.68 140.82 38.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.817 HG13 ' HB2' ' A' ' 139' ' ' PHE . 12.2 p -143.82 124.93 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -93.95 116.1 5.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.524 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -123.37 114.88 20.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.58 -150.4 38.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.418 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.52 -5.39 16.83 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.629 2.219 . . . . 0.0 112.681 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 138' ' ' THR . 21.7 t -112.32 155.09 13.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 111.25 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -102.21 147.99 25.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.817 ' HB2' HG13 ' A' ' 132' ' ' VAL . 9.4 m-85 -122.72 146.01 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.669 ' HG2' HD21 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -140.7 125.89 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.1 mtt -122.57 123.37 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 138.68 31.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -104.16 146.27 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.966 HD12 HG23 ' A' ' 153' ' ' VAL . 24.3 mt -136.01 135.78 21.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 128.27 15.61 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.465 2.11 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -100.23 -138.37 10.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 m -119.51 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -172.09 136.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.26 -78.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.79 174.55 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.92 28.69 7.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -110.04 130.58 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.966 HG23 HD12 ' A' ' 144' ' ' ILE . 6.1 m -106.36 144.42 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -127.23 138.11 53.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.07 149.48 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.79 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.22 157.05 43.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -166.31 142.76 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.43 146.22 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -123.44 122.44 38.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.6 142.15 36.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -116.52 122.05 43.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -130.32 166.63 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.1 tt -144.8 130.35 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -139.96 110.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 131.39 36.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -78.77 -29.57 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.023 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.4 t60 62.86 -176.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 60.33 80.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -60.24 128.5 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.876 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.824 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.57 -55.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.41 -20.21 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -57.05 4.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -25.91 66.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -67.28 -39.36 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.1 mmm -60.25 -31.55 70.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -31.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -69.99 -31.28 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.95 -55.9 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.06 -31.04 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -71.07 -30.92 67.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -73.24 -39.32 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm -70.89 -42.8 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.37 75.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.46 -38.6 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -75.15 -32.32 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -72.56 -31.73 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -85.72 -38.91 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.71 139.85 35.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -168.18 0.39 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.446 2.097 . . . . 0.0 112.286 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.21 -64.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -113.03 178.69 4.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.07 165.11 13.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.01 123.56 32.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.69 124.69 42.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -107.2 127.43 53.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.5 tt -143.37 134.95 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.3 161.01 47.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.46 2.107 . . . . 0.0 112.281 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -96.85 104.93 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 30' ' ' ALA . 2.2 pt -158.57 146.63 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 33' ' ' TRP . 6.3 t -114.46 -48.88 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.438 ' N ' HG23 ' A' ' 32' ' ' THR . 35.4 t-105 -177.2 -69.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -178.51 138.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.04 -169.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.77 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -95.41 175.61 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.69 111.2 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -125.75 120.83 31.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -98.4 148.57 23.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.38 88.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.65 172.56 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -152.85 150.94 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -101.87 144.18 30.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.41 -50.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.42 -178.48 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -132.06 88.66 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.36 123.06 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -97.75 112.99 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -81.32 148.46 63.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.96 171.84 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.6 2.2 . . . . 0.0 112.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -163.17 31.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.28 -96.54 2.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.13 165.49 12.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.35 159.08 23.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -151.45 152.81 33.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.77 -164.86 37.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 mt -131.96 173.7 10.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 168.3 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.77 177.96 9.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -140.05 106.99 5.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -61.66 142.92 56.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.959 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -59.81 -17.2 34.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.569 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -89.76 26.13 1.86 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.583 0.23 . . . . 0.0 111.294 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.79 52.7 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.587 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 38.7 m-20 -132.0 157.08 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -132.1 109.95 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -124.64 137.18 54.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -153.85 141.17 8.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . 0.4 OUTLIER -105.32 130.81 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -127.0 145.16 50.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.2 110.77 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.92 163.42 15.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.43 138.2 29.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -102.97 156.19 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 119.93 39.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.12 -177.41 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.1 t -78.38 -34.66 48.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -109.09 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -175.59 78.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.66 77.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -60.67 105.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.58 124.96 91.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.747 ' O ' HD13 ' A' ' 85' ' ' ILE . 73.0 Cg_endo -76.1 137.38 19.28 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.165 . . . . 0.0 112.309 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 84' ' ' PRO . 22.3 mm -141.38 134.69 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.81 151.46 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.96 145.38 8.65 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 70' ' ' LEU . 1.7 t80 -105.48 149.25 26.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.67 147.2 18.72 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -139.09 125.39 20.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 129' ' ' LEU . 5.8 mt-10 -133.9 153.05 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.35 135.16 46.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.29 140.75 48.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.95 141.2 21.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.1 136.92 28.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.78 -73.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.55 2.167 . . . . 0.0 112.261 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.2 tt -173.9 36.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.82 30.8 20.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -96.54 -34.23 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -103.28 -22.85 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 66.07 30.9 9.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.03 126.85 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.78 129.13 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 104' ' ' LEU . 9.2 tt -123.04 119.94 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.86 162.41 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -145.33 126.09 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -165.3 -160.22 12.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 108' ' ' PHE . 4.0 m-85 -134.9 151.43 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 109' ' ' THR . 9.5 t -118.27 117.94 30.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.18 120.51 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -150.23 -169.53 16.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -128.06 137.85 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.57 HG23 HD23 ' A' ' 123' ' ' LEU . 1.3 t -135.68 156.62 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.16 140.16 37.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -85.95 166.21 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -59.79 112.99 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.6 m95 60.57 -176.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -173.35 105.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.659 ' CD2' HG23 ' A' ' 121' ' ' ILE . 2.5 p90 -153.74 -46.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.659 HG23 ' CD2' ' A' ' 120' ' ' TYR . 2.6 pt -97.92 143.15 25.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.17 153.17 40.81 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 113' ' ' THR . 3.5 tp -116.69 88.59 25.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.83 136.12 34.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.582 2.188 . . . . 0.0 112.313 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 125' ' ' VAL . 31.3 m -138.49 125.16 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -130.04 117.44 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.0 mt -144.28 140.09 16.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.674 ' C ' HD13 ' A' ' 129' ' ' LEU . 74.5 Cg_endo -75.05 157.94 42.28 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.487 2.125 . . . . 0.0 112.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.674 HD13 ' C ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -157.71 177.55 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.41 129.38 13.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.0 p -99.67 118.73 36.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.5 m -128.07 118.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.52 -160.38 33.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -146.0 144.48 30.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.59 -143.7 41.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.0 -20.36 44.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.555 2.17 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 t -90.6 110.94 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.401 HG22 ' OE1' ' A' ' 140' ' ' GLN . 25.2 m -137.81 128.95 27.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.13 126.85 35.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.401 ' OE1' HG22 ' A' ' 138' ' ' THR . 0.5 OUTLIER -107.64 134.17 51.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.27 118.24 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.17 123.57 37.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -114.9 133.45 55.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.808 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 15.3 tt -106.32 136.03 19.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.77 169.98 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.453 2.102 . . . . 0.0 112.265 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.49 -152.92 7.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.13 -45.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 153.05 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.29 -33.76 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -80.57 140.5 35.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.56 30.01 5.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.72 132.9 37.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.39 107.8 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -100.77 134.75 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -106.96 142.46 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -108.14 145.42 34.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -148.26 126.45 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.39 126.96 41.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -117.62 123.17 45.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -125.34 131.36 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.17 134.17 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.64 133.42 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.44 147.71 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.9 88.51 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -129.71 -176.75 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -152.14 -52.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -146.38 87.44 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.86 147.49 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 6.3 m80 60.63 167.82 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.795 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.902 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.867 0.365 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.8 30.18 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.48 -16.82 61.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.521 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.19 -49.48 15.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.31 -25.83 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.567 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.66 90.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.31 -31.02 71.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.11 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.7 p -68.37 -31.28 70.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.44 -37.49 87.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -73.42 -32.02 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -32.77 47.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -74.18 -40.21 62.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 15' ' ' ALA . 19.3 tt -68.5 -44.29 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 14' ' ' ILE . . . -63.57 -41.54 98.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -53.27 59.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 14' ' ' ILE . 9.4 t -60.58 -31.4 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -31.45 61.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -63.43 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 60.98 163.2 0.1 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.6 Cg_endo -67.61 124.41 11.94 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.574 2.183 . . . . 0.0 112.236 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.06 -31.81 44.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -116.14 128.15 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -111.04 115.14 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.477 ' C ' HD12 ' A' ' 26' ' ' LEU . 68.9 m-20 -103.9 162.21 13.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 25' ' ' ASP . 3.9 mp -147.41 114.77 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.36 130.15 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.1 pt -134.21 133.09 21.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.34 -174.26 2.13 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.534 2.156 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.96 -170.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 tt -114.11 130.2 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 p -77.29 -70.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 62.86 120.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -66.36 -50.35 63.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 61.06 -176.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.31 -47.31 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -167.19 -66.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.61 114.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -79.77 161.54 25.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -93.83 139.79 30.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -111.79 121.59 45.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -87.02 82.94 7.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -137.42 96.82 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.602 HG22 ' OD2' ' A' ' 45' ' ' ASP . 19.1 m -142.5 -65.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.602 ' OD2' HG22 ' A' ' 44' ' ' THR . 8.6 m-20 -152.75 37.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -138.28 134.4 34.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -69.04 136.71 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -109.24 134.0 52.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -108.39 162.26 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 72.09 26.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 99.03 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.602 2.201 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -92.91 157.44 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.7 92.52 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.68 171.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.15 33.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -115.45 173.95 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.33 156.98 24.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -145.71 177.98 8.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.807 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.3 p -172.26 154.05 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -131.44 179.12 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.67 132.62 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.25 122.64 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -18.67 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 26.15 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.289 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.58 42.51 95.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -132.11 157.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -111.91 100.47 8.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 142.47 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -128.35 141.42 12.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 tt -154.02 114.05 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 110.77 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.542 ' OH ' HG21 ' A' ' 109' ' ' THR . 43.6 p90 -136.5 162.69 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.24 129.99 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.1 mtt -128.18 177.06 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.06 138.01 29.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -106.12 141.29 37.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -84.94 145.38 27.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.86 -173.74 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -31.92 61.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 -69.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -166.84 92.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -169.24 124.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -114.94 131.24 56.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -120.77 124.99 27.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.98 159.69 41.12 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.398 2.066 . . . . 0.0 112.392 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.541 HG22 HG22 ' A' ' 113' ' ' THR . 26.9 pt -144.32 135.14 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -99.77 146.76 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.94 135.98 5.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -145.41 140.68 27.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.4 22.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -129.89 144.1 51.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.019 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.57 148.07 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -99.79 140.78 33.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.95 147.97 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.39 117.32 6.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -125.11 148.85 61.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 -29.19 21.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.567 2.178 . . . . 0.0 112.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 tp -162.15 36.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.63 70.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -117.93 162.93 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -109.02 -28.8 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -58.98 -61.92 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -114.54 132.73 56.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -144.03 162.14 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.699 ' HB3' HG23 ' A' ' 132' ' ' VAL . 3.4 pp -152.1 144.78 24.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -159.87 -178.54 33.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.03 157.09 28.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.7 -164.45 35.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.93 157.85 19.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.542 HG21 ' OH ' ' A' ' 71' ' ' TYR . 20.0 m -138.94 132.1 29.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.02 113.97 27.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.62 129.97 10.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.567 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 86' ' ' ALA . 15.5 m -115.97 126.58 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.541 HG22 HG22 ' A' ' 85' ' ' ILE . 42.5 p -130.7 128.46 40.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -106.69 135.37 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -112.22 95.29 5.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.62 92.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.21 -51.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -130.77 -61.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -127.38 -178.38 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -100.48 94.86 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.17 92.99 37.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.31 154.06 15.57 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.529 2.152 . . . . 0.0 112.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.64 89.26 27.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.97 145.02 44.15 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.57 2.18 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 111' ' ' GLY . 28.8 m -147.09 120.98 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.13 123.27 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 mp -146.23 140.96 15.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.734 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.663 ' C ' HD13 ' A' ' 129' ' ' LEU . 87.6 Cg_endo -83.39 149.52 13.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.619 2.213 . . . . 0.0 112.493 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -158.52 179.23 9.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.69 175.34 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -160.04 118.03 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 104' ' ' LEU . 9.3 p -143.99 133.49 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.81 -166.08 35.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -145.9 147.07 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.93 -150.95 35.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.13 -7.49 21.09 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.581 2.187 . . . . 0.0 112.603 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 137' ' ' VAL . 11.9 p -107.01 116.43 50.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.694 HG23 ' HB3' ' A' ' 159' ' ' ARG . 1.5 t -138.01 147.27 44.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -108.91 143.42 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -122.67 125.21 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 80.7 mmm -106.44 156.18 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 142' ' ' THR . 9.7 t -141.01 120.86 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -100.25 155.86 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 145' ' ' PRO . 3.4 tp -99.28 134.08 21.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.422 ' HD2' HD12 ' A' ' 144' ' ' ILE . 55.5 Cg_endo -70.03 135.32 29.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.477 2.118 . . . . 0.0 112.272 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.84 128.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.437 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 147' ' ' THR . 5.6 t -143.65 79.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 148' ' ' TYR . 43.8 p90 -69.54 123.01 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.6 m120 68.24 -68.29 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -171.42 -175.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.26 28.42 5.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.543 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.63 103.94 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.2 m -94.9 130.66 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -130.88 136.27 48.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.72 161.0 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -136.58 138.11 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -129.38 151.77 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 7.4 mmt -93.28 135.53 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.694 ' HB3' HG23 ' A' ' 138' ' ' THR . 0.7 OUTLIER -131.81 141.26 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.36 134.46 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.33 119.79 40.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -131.01 178.58 6.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mt -131.21 150.0 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.21 98.71 8.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 145.11 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -168.81 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -94.96 158.31 15.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -84.97 -34.56 22.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -75.72 159.11 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.946 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.782 0.325 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -148.88 96.15 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.37 -21.04 48.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.397 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -57.03 4.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.995 0.426 . . . . 0.0 110.579 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -25.84 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.595 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -45.47 57.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.0 mmm -61.69 -46.08 91.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.3 p -59.82 -38.57 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -77.99 -31.4 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -35.47 80.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -59.63 -32.71 70.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -31.28 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -76.64 -44.94 31.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.8 mm -67.59 -39.05 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -65.3 -49.32 69.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.5 p -72.94 -31.44 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -60.94 -32.08 71.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -92.1 -59.52 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.95 148.37 86.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.5 174.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.543 2.162 . . . . 0.0 112.256 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.21 32.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CD2' HD21 ' A' ' 163' ' ' LEU . 0.1 OUTLIER -65.31 143.68 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.41 106.59 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -103.98 139.73 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 tp -138.97 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 28' ' ' ILE . 3.4 m-85 -99.29 125.83 45.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 27' ' ' TYR . 16.3 pt -158.61 147.77 14.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.47 -173.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.591 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -139.44 70.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.591 HD13 ' O ' ' A' ' 30' ' ' ALA . 24.4 mm -134.12 158.72 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.483 ' N ' HG22 ' A' ' 31' ' ' ILE . 22.8 p -130.13 171.71 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -145.03 169.74 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 72.6 m80 60.43 79.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.8 161.76 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtm-85 -78.22 -63.03 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 155.93 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.02 107.17 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.77 167.26 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.24 157.34 17.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt 60.59 100.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.33 130.49 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -121.36 -46.28 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 p -72.39 -30.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 64.38 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.01 146.44 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.48 131.73 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -116.14 159.36 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.51 150.93 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -98.2 151.89 37.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.32 166.87 0.63 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -101.01 149.86 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.56 -141.98 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.21 -177.89 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.49 153.05 21.12 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.55 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -145.65 142.06 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.14 -163.52 24.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 mp -127.33 177.95 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -155.95 169.13 25.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -132.51 154.04 50.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -136.13 132.12 35.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.19 141.4 50.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -58.35 -18.5 28.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.433 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -89.9 25.99 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.79 47.49 75.27 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.545 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.22 96.91 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -103.63 92.94 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' CD2' HD12 ' A' ' 70' ' ' LEU . 6.9 t60 -68.86 143.09 54.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.92 119.41 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.559 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 68' ' ' HIS . 1.6 mt -144.68 114.1 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -151.8 164.88 36.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.93 120.08 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -89.07 168.63 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.09 137.93 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.85 135.17 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 145.63 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -111.27 -176.01 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 p -83.55 -28.03 28.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -138.63 -46.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.782 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -166.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -108.11 178.21 4.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -60.17 107.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.83 124.9 85.17 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.08 142.52 13.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.554 2.17 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.92 117.03 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.622 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -100.62 148.24 25.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.184 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.97 3.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -156.83 152.5 26.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.42 -173.48 39.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 92' ' ' SER . 12.4 t90 -98.16 144.1 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -136.11 135.57 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 87.6 p -134.23 130.89 37.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.804 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -119.82 147.65 44.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -122.3 159.02 28.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 150.2 43.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.16 -44.78 1.06 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.612 2.208 . . . . 0.0 112.238 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -176.71 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.38 -27.06 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.33 28.74 13.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.72 75.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -175.22 -77.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -99.02 138.07 36.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -114.17 116.97 29.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.0 OUTLIER -137.37 122.11 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.7 -172.91 38.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mt -132.8 170.99 14.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.05 146.88 8.96 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.554 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.7 142.29 27.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.46 132.44 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.95 114.04 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.671 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -97.5 134.62 11.82 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.622 HG23 ' HB3' ' A' ' 86' ' ' ALA . 6.0 m -128.23 126.79 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.7 p -109.11 116.78 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -107.13 142.64 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -121.56 -176.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -142.21 33.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -69.58 -64.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -126.54 -51.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -135.77 155.52 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.22 101.91 5.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.3 mt -131.66 92.91 29.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.36 143.52 53.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.455 2.103 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.35 88.05 3.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 112' ' ' VAL . 57.2 Cg_endo -70.87 153.36 63.89 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.603 2.202 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 111' ' ' GLY . 6.0 m -154.01 130.46 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 127' ' ' LEU . 4.6 mt -99.59 125.63 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 126' ' ' LEU . 5.7 mp -147.99 144.08 18.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.01 149.23 41.38 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.539 2.159 . . . . 0.0 112.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.537 HD11 ' NE2' ' A' ' 140' ' ' GLN . 7.4 tt -152.92 149.99 28.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.59 165.68 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -140.77 118.59 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 104' ' ' LEU . 30.7 m -143.82 122.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.23 -163.94 33.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.611 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.8 139.7 41.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.84 -141.0 45.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.69 -23.22 42.65 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.493 2.129 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.54 110.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 62.3 m -130.75 112.88 13.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.644 ' CZ ' ' HB1' ' A' ' 156' ' ' ALA . 7.4 t80 -85.13 122.49 29.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.537 ' NE2' HD11 ' A' ' 129' ' ' LEU . 7.8 pt20 -110.78 158.23 18.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 25.7 mtt -129.63 122.53 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.9 m -101.03 129.94 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.09 133.2 51.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.0 tp -93.43 133.62 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.91 153.28 58.3 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.425 2.083 . . . . 0.0 112.221 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.58 98.95 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.78 86.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 -67.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -108.93 144.45 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.3 -172.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.02 30.45 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -110.34 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.59 142.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.79 134.44 54.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -105.71 133.12 50.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.644 ' HB1' ' CZ ' ' A' ' 139' ' ' PHE . . . -102.53 158.89 15.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -154.8 158.22 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 3.6 ttt -111.64 132.67 54.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -110.46 137.74 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.59 121.6 36.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -111.38 153.26 26.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 23' ' ' HIS . 12.9 mt -131.1 140.33 49.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 120.57 24.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -160.06 37.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -176.7 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.29 100.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.4 -174.11 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -154.44 31.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.852 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -131.4 164.22 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.6 -21.91 42.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.357 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.13 -57.05 4.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -69.87 -25.84 63.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -64.36 -42.71 96.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.0 ttt -63.3 -46.39 86.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.3 p -60.41 -48.8 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -60.53 -40.95 93.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.24 -33.22 69.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -62.11 -35.22 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.25 -31.49 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -76.49 -53.45 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 11' ' ' ARG . 2.9 tt -59.95 -35.2 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.49 -35.82 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.62 -37.12 76.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -74.05 -37.96 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -60.47 -53.96 51.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.55 -67.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 59.94 87.17 0.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 150.51 67.17 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.565 2.177 . . . . 0.0 112.362 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -139.12 -72.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -130.53 142.63 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.69 113.18 25.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -103.73 129.06 51.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.937 HD23 HD11 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -107.25 124.21 49.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CD2' ' HE2' ' A' ' 73' ' ' MET . 0.2 OUTLIER -100.06 113.28 25.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.937 HD11 HD23 ' A' ' 26' ' ' LEU . 32.1 mt -138.23 135.63 18.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.59 179.73 4.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.395 2.063 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.03 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 51' ' ' PRO . 4.5 pt -144.76 146.19 20.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.2 p -149.2 31.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -109.03 -40.81 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 87.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 60.65 78.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -152.38 90.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.49 149.71 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -130.5 124.91 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.01 123.97 18.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.93 132.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.9 78.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 -27.11 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.8 p -55.37 -27.78 49.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t0 62.26 -170.84 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -109.53 -66.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.79 162.9 13.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -109.66 166.09 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.24 147.83 25.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -138.71 83.89 19.01 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.459 ' HG3' HG22 ' A' ' 31' ' ' ILE . 48.2 Cg_exo -55.57 -63.49 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.578 2.186 . . . . 0.0 112.217 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -157.93 30.49 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 78.15 -131.13 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.15 -175.84 45.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.584 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.7 -176.0 37.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -151.26 173.75 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.74 44.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.53 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.2 155.94 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.957 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.2 m -128.59 144.76 51.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -110.24 155.93 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -112.69 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -55.95 -22.86 28.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.399 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -70.82 -24.97 62.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 120.77 41.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -132.01 156.07 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -127.13 96.89 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -68.12 134.48 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.52 111.66 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.422 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 tt -130.11 121.04 25.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' CE1' ' A' ' 27' ' ' TYR . 2.4 p90 -156.42 159.62 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.22 127.01 51.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.465 ' HE2' ' CD2' ' A' ' 27' ' ' TYR . 1.9 ttm -118.95 144.68 46.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . . . -120.3 138.04 53.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 85' ' ' ILE . 55.0 p90 -103.84 141.46 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 119.32 24.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 -23.59 27.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.261 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -147.81 -51.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -65.31 -176.4 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.802 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -72.34 176.87 4.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -86.82 145.51 26.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.1 tt0 -101.66 125.24 37.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 17.3 Cg_exo -66.71 160.69 45.17 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.414 2.076 . . . . 0.0 112.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.558 HD11 ' CD2' ' A' ' 75' ' ' PHE . 31.1 mt -147.03 151.93 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.731 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -104.8 147.32 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.18 137.65 6.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 88' ' ' TYR . 2.9 p90 -152.47 134.77 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -173.39 33.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -135.99 148.6 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -142.56 152.96 43.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -124.28 107.39 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.9 m -85.6 141.08 30.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -117.63 143.53 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HB3' ' CE1' ' A' ' 103' ' ' HIS . 1.1 ppt_? -128.85 101.91 19.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.29 178.21 3.87 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.433 2.089 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 97' ' ' LEU . 4.2 mp -91.62 89.34 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.11 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -127.2 165.94 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -109.87 -32.39 7.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -55.45 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.78 129.39 39.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 95' ' ' ARG . 8.7 m-70 -143.91 149.2 36.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.767 ' HA ' HG12 ' A' ' 132' ' ' VAL . 5.6 mp -140.35 121.32 14.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.47 160.12 25.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -141.5 153.34 44.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.793 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -175.91 -159.98 22.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -122.05 150.92 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.559 HG21 HD13 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -131.93 139.42 48.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.646 ' HB2' HD23 ' A' ' 126' ' ' LEU . . . -123.31 152.12 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.62 160.08 27.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.731 HG23 ' HB3' ' A' ' 86' ' ' ALA . 9.6 m -148.0 117.05 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.44 113.5 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.59 159.07 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -177.97 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -118.12 -44.39 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -129.89 30.43 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m0 59.34 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -144.79 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -118.72 146.96 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 pt -71.97 156.61 90.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.07 140.07 80.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.642 2.228 . . . . 0.0 112.121 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.1 tp -105.77 89.04 3.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 156.14 58.94 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.528 2.152 . . . . 0.0 112.252 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.74 144.76 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 110' ' ' ALA . 5.2 mt -143.22 114.98 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -147.8 155.36 44.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.95 147.0 54.3 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 112.38 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.65 HD21 ' HG3' ' A' ' 140' ' ' GLN . 9.5 tt -143.08 147.8 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.15 143.19 51.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.6 p -127.4 114.03 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.767 HG12 ' HA ' ' A' ' 104' ' ' LEU . 21.5 m -139.82 131.29 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 157.67 -154.45 25.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.572 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -79.61 147.23 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -47.85 -61.2 4.95 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.967 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 27.3 Cg_endo -62.47 -30.04 79.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.541 2.161 . . . . 0.0 112.311 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 137' ' ' VAL . 9.7 p -137.95 110.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.4 p -116.67 147.97 41.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.992 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -89.89 133.65 34.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.731 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.65 ' HG3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -105.01 130.67 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.4 mmm -125.91 118.21 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -99.63 131.22 45.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 144' ' ' ILE . 53.5 t80 -132.88 159.05 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -139.37 147.09 51.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.52 170.1 19.33 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -148.69 -164.88 11.76 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.589 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.8 -33.74 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.5 -55.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.73 114.73 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.94 -35.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.38 24.57 53.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.603 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 9.5 t30 57.42 39.07 28.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 153' ' ' VAL . 11.6 p -73.02 112.15 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -138.02 142.98 40.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.27 145.96 40.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.64 161.31 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.07 169.65 17.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 13.1 mtt -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -133.93 124.91 27.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -103.37 147.08 27.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -123.17 134.39 54.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -136.13 133.8 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.78 152.24 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -127.03 113.15 16.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.78 -169.87 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 32.7 m170 61.03 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t60 63.91 132.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -166.09 33.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.883 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.892 0.377 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 60.04 106.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.3 -24.83 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 8' ' ' THR . 2.7 t0 -77.04 -57.04 4.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -69.94 -25.94 63.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -70.89 -39.62 72.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mmt -77.88 -33.8 51.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 4' ' ' ASP . 59.1 p -59.98 -30.13 68.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -58.73 -31.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -67.61 -50.11 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -32.68 74.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.07 -32.57 67.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -72.08 -39.77 68.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 mt -74.2 -40.71 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.8 -31.09 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -50.85 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -60.55 -35.45 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -69.45 -53.82 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -35.9 76.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.04 149.22 94.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 179.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.562 2.175 . . . . 0.0 112.295 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -103.87 -31.88 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.45 150.07 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -128.88 137.86 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -120.62 165.5 14.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 HD11 ' A' ' 28' ' ' ILE . 11.3 tp -139.67 132.35 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -112.47 113.16 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.599 HD11 HD23 ' A' ' 26' ' ' LEU . 4.3 mt -126.44 135.93 27.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.0 Cg_endo -70.31 143.25 47.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.447 2.098 . . . . 0.0 112.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' ' SD ' ' A' ' 158' ' ' MET . . . -91.74 -64.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 pt -132.5 148.81 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 m -120.27 -66.67 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -85.43 -176.18 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -64.55 89.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.03 165.98 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -162.14 123.4 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 60.54 82.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.42 90.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.85 167.98 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.46 105.39 3.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -24.61 61.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 69.79 -67.05 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 74.05 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 46' ' ' ARG . 17.5 m -129.12 117.1 20.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.96 -37.36 12.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -85.89 151.33 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -69.32 153.78 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -110.96 111.42 22.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -112.2 158.88 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.87 155.36 36.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.73 148.45 65.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.63 86.32 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.16 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.9 -174.74 46.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.592 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -146.23 6.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -125.05 173.96 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 71' ' ' TYR . . . -145.14 142.6 10.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.93 178.06 5.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -170.11 168.06 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -131.92 169.5 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 42.7 p90 -105.76 153.53 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -142.48 123.18 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.74 -20.12 13.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.519 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -89.8 26.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 111.442 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.35 43.4 96.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.448 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -132.1 157.05 45.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 30.5 m-90 -143.76 125.31 14.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.92 141.9 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.09 116.53 3.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.599 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.2 141.02 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.47 ' HB3' ' HE3' ' A' ' 73' ' ' MET . 11.5 m-85 -145.31 151.62 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.3 109.99 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.47 ' HE3' ' HB3' ' A' ' 71' ' ' TYR . 1.8 mtt -120.16 178.08 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.3 138.0 17.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -131.76 153.78 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.95 139.17 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.03 -169.6 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -28.65 65.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -97.92 28.82 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 56.04 30.53 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.33 111.83 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -69.24 116.42 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -102.4 124.95 37.67 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.83 162.58 37.22 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -148.2 119.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.511 ' N ' HD13 ' A' ' 85' ' ' ILE . . . -94.73 134.86 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.22 136.04 8.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.95 152.97 44.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.53 -162.81 31.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.532 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.47 149.26 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -137.47 138.2 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -135.6 105.23 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 78.4 p -92.09 140.17 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -134.3 128.24 33.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -137.12 142.86 39.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.805 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.1 -174.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.459 2.106 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.63 51.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.36 33.11 19.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.42 -52.8 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.55 -30.58 12.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 62.61 37.97 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -100.82 130.08 46.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.03 121.73 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 132' ' ' VAL . 1.2 tt -150.43 120.04 6.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.13 177.07 31.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.98 137.93 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -160.08 151.74 22.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -101.73 140.93 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.04 121.53 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.406 ' HB2' HD22 ' A' ' 126' ' ' LEU . . . -101.42 114.07 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -94.73 141.85 15.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.06 123.54 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 m -116.13 138.11 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -146.84 127.62 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -117.71 137.69 52.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 60.27 161.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -106.51 -28.68 10.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.995 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -49.39 76.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -79.1 -54.52 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.422 ' O ' HD13 ' A' ' 121' ' ' ILE . 14.0 t80 59.52 84.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 120' ' ' TYR . 24.5 mm -128.67 92.8 39.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.39 148.68 70.18 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.49 2.127 . . . . 0.0 112.245 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.07 75.97 78.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.42 134.71 12.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.1 m -154.01 128.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.194 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -93.35 125.71 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 144' ' ' ILE . 0.1 OUTLIER -129.2 99.82 21.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.08 134.34 19.36 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.525 2.15 . . . . 0.0 112.344 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 142' ' ' THR . 1.7 pp -141.9 161.77 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.72 127.8 42.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.73 117.71 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 104' ' ' LEU . 13.3 m -143.97 125.88 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.63 -162.36 31.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -146.02 146.13 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.08 -149.93 29.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.62 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.58 -11.13 29.29 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.625 2.217 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 137' ' ' VAL . 35.3 m -101.69 121.34 52.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.06 148.02 44.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -129.54 130.74 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.99 143.26 33.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 14.2 mtp -111.9 121.44 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 129' ' ' LEU . 14.7 p -99.72 143.2 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -116.57 121.26 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.452 HD11 ' HE2' ' A' ' 155' ' ' PHE . 1.8 pt -140.87 99.9 6.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.48 163.83 37.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -147.25 -159.13 8.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.56 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.8 m -91.64 79.74 5.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.84 177.03 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.63 -50.17 46.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -90.1 -68.49 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.86 36.72 65.74 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -111.14 35.89 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.5 t -78.06 131.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -129.07 137.08 51.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.452 ' HE2' HD11 ' A' ' 144' ' ' ILE . 87.3 m-85 -113.09 148.72 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -110.5 148.89 31.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -130.91 161.31 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -95.37 128.97 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -130.81 119.45 22.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.24 120.86 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.11 121.6 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -133.51 155.25 49.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.66 159.53 17.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.25 85.28 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.67 -31.77 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 61.54 177.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 138.7 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -105.3 72.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -131.44 31.69 4.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.904 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.1 tpp . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -70.41 -34.96 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.27 -24.31 11.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.38 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.06 -57.05 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.642 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.52 -25.89 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.722 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -77.64 -30.82 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -46.27 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.3 p -61.82 -42.88 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -60.1 -44.66 94.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' ILE . 2.4 ttt180 -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -44.22 77.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.6 -54.57 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 10' ' ' PHE . 17.4 tt -59.83 -34.01 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.062 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 11' ' ' ARG . . . -65.03 -55.07 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.51 -31.55 70.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -73.37 -48.11 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -44.17 97.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -58.25 8.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -138.49 122.79 11.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.62 -39.6 3.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.427 2.084 . . . . 0.0 112.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -84.91 136.88 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -103.8 140.18 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 52.9 m-85 -75.12 111.44 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.08 144.66 30.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 55' ' ' GLY . 61.6 tp -125.81 141.02 52.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -127.84 115.38 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.06 158.41 67.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.88 159.57 3.62 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.59 2.193 . . . . 0.0 112.28 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.48 -175.96 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.08 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 pt -97.92 142.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 33' ' ' TRP . 11.0 t -74.35 -46.24 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.432 ' N ' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -145.83 -74.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -153.43 -70.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.96 87.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -128.84 -71.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -110.21 32.41 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.55 124.65 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.14 145.85 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -97.8 159.33 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -98.08 144.33 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -140.51 115.34 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -155.63 -46.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -150.56 -46.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.34 101.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -136.77 89.06 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 148.86 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -77.12 150.57 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -89.94 105.98 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -131.89 139.06 33.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.25 175.6 10.33 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.454 2.103 . . . . 0.0 112.317 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -149.93 30.57 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.72 -157.3 42.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.37 -175.6 45.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -109.38 136.35 13.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -152.05 136.93 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.19 -156.09 9.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.26 178.01 7.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 p -141.07 168.2 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -151.87 160.61 43.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -104.66 139.03 40.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.45 123.7 49.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.69 -18.78 45.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -92.78 26.11 2.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.258 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.98 48.49 47.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -132.04 156.22 46.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.84 98.82 5.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -71.79 132.91 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -137.55 109.99 0.73 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 88' ' ' TYR . 0.8 OUTLIER -103.67 124.32 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 87' ' ' GLY . 16.1 p90 -119.08 123.41 44.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.26 110.03 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.445 ' H ' HG23 ' A' ' 85' ' ' ILE . 3.5 mtt -105.0 178.01 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.7 150.17 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.73 127.86 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HD2' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -90.6 96.93 10.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -69.94 151.81 45.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 p -59.44 -21.47 60.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -53.48 -68.47 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.75 -76.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -82.26 154.22 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HD2' ' A' ' 76' ' ' LYS . 37.8 p90 -93.19 156.53 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.12 124.85 34.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 170.6 12.99 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.603 2.202 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 85' ' ' ILE . 2.6 tt -156.0 118.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.01 144.89 25.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 71' ' ' TYR . . . -140.74 136.02 7.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.597 ' CE2' HD11 ' A' ' 70' ' ' LEU . 12.2 m-85 -135.61 113.95 11.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -135.18 166.86 24.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -135.39 128.69 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -138.74 153.01 48.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -106.79 126.62 52.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 p -110.7 140.58 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -124.27 135.29 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 155.15 45.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 162.37 42.25 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.482 2.122 . . . . 0.0 112.284 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.439 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -90.71 71.99 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.873 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.05 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.66 149.13 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -97.93 37.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -96.0 -57.87 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.69 132.27 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -136.64 137.68 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD12 HG21 ' A' ' 132' ' ' VAL . 8.6 tt -145.05 119.87 9.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.02 170.39 33.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mp -145.58 163.07 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.63 -168.75 37.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -115.8 142.97 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.978 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.418 ' HB ' ' CE1' ' A' ' 71' ' ' TYR . 31.1 p -117.04 110.98 18.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -117.23 119.83 36.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -126.42 178.75 16.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.51 147.9 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -119.88 128.61 53.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -139.95 131.66 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -67.87 170.19 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -105.14 -31.92 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -68.99 -33.18 73.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -164.77 118.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.537 ' HB3' HD12 ' A' ' 121' ' ' ILE . 0.0 OUTLIER -141.79 -72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 120' ' ' TYR . 2.7 mp -126.59 92.97 43.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.62 179.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.595 2.197 . . . . 0.0 112.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.6 tp -128.01 88.75 52.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.42 153.24 70.74 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.588 2.192 . . . . 0.0 112.286 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.6 t -149.2 122.72 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.34 125.93 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.6 mt -148.03 149.09 31.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.46 141.22 41.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.587 2.191 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.9 149.02 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.8 -179.59 4.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -164.32 120.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.53 HG21 HD12 ' A' ' 104' ' ' LEU . 12.1 p -142.84 134.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.02 34.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 134' ' ' TYR . 2.7 p90 -145.9 146.54 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.24 -146.08 37.2 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 -17.43 43.65 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.517 2.145 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.26 111.9 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 m -138.0 123.9 20.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -91.93 121.44 33.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -105.34 140.58 38.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.9 129.29 55.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -113.78 130.02 56.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -109.53 122.71 48.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.3 mt -128.37 135.76 28.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.17 133.82 18.45 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.148 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -73.03 -108.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.9 m -127.62 -45.46 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -164.91 32.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -161.48 111.91 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -108.94 172.76 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.37 35.73 8.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -160.87 -49.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 153' ' ' VAL . 35.6 m -72.97 123.01 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -138.0 138.14 38.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.08 150.19 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -125.75 168.02 14.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -160.77 139.04 9.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.91 136.73 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.04 139.15 54.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -140.79 127.81 20.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -104.8 116.37 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -136.54 178.41 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 163' ' ' LEU . 11.9 mt -119.55 164.16 16.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -108.12 88.1 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -60.42 149.89 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -60.15 105.95 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.29 -48.61 67.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.05 -56.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -170.72 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.925 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.886 0.374 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -137.09 113.26 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.27 -21.38 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.567 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -67.21 -25.88 66.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.65 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 m0 -74.23 -30.31 62.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -31.82 63.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -59.83 -52.89 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -60.29 -31.21 70.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -68.01 -45.79 73.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -45.45 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.608 ' O ' HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -66.92 -35.61 80.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.0 mm -70.81 -30.97 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.61 58.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.2 96.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 13' ' ' ASN . 54.0 p -60.04 -54.05 50.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.93 -31.58 72.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -67.13 -61.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -120.58 81.7 32.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.78 176.62 7.29 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.8 176.83 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.15 160.82 17.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -103.04 106.89 17.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -81.09 124.51 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 160' ' ' PHE . 0.4 OUTLIER -116.69 143.11 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 159' ' ' ARG . 96.9 m-85 -131.97 113.44 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.29 144.77 33.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.2 -168.07 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.483 2.122 . . . . 0.0 112.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -166.67 83.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 pt -135.91 146.28 29.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m 60.32 104.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -144.99 33.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.64 -171.05 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.22 139.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.94 -55.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -107.73 162.14 14.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.02 130.08 36.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -98.33 129.88 45.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 127.1 29.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -78.98 156.18 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -112.99 -45.73 3.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 76.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -140.6 109.59 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.63 -71.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -44.8 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.71 108.63 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -108.82 115.76 30.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -103.85 164.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -101.11 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.42 163.57 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.472 2.115 . . . . 0.0 112.249 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -146.43 121.09 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.78 164.1 10.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.08 -157.56 20.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -124.9 143.44 14.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -152.02 132.26 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' C ' HD12 ' A' ' 58' ' ' LEU . . . -175.46 -171.04 39.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.607 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.7 mp -131.07 177.95 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.821 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 p -132.89 158.86 41.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -125.83 147.48 49.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 67' ' ' TRP . 48.1 p-90 -106.97 131.13 54.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.28 115.51 28.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.746 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.08 -22.84 30.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -70.8 -23.27 62.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.83 36.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -132.07 157.04 45.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.951 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 61' ' ' TRP . 53.8 t-105 -134.58 97.0 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -67.93 126.03 28.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.75 109.92 2.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.576 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.32 114.7 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 0.0 110.761 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -130.26 142.97 50.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.84 109.88 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.63 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.2 mpp? -94.53 175.58 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.03 138.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 83' ' ' GLU . 3.2 p90 -124.99 140.06 53.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -95.97 123.57 39.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.42 148.07 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -64.86 -19.78 66.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -151.1 35.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.665 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -157.33 -163.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -82.32 -176.49 6.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -102.36 137.34 40.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 2.9 mm-40 -95.08 125.0 52.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 85' ' ' ILE . 85.0 Cg_endo -82.29 156.3 16.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.593 2.196 . . . . 0.0 112.42 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 73' ' ' MET . 10.3 pt -156.12 122.73 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.0 153.99 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.203 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.68 136.03 4.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.409 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -142.2 147.14 36.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.03 -166.2 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.545 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 60.7 p-90 -117.34 131.95 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -130.63 150.91 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -106.6 130.52 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.7 t -89.45 145.21 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 107.98 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -111.57 120.86 41.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.07 -169.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.25 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.2 -50.11 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.11 88.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -146.47 50.1 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 60.99 31.73 19.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.2 79.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 133' ' ' GLY . 0.2 OUTLIER -90.66 141.98 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.06 122.89 48.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.842 ' HG ' HG12 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -122.82 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.76 142.6 11.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 130' ' ' ALA . 6.3 tp -157.48 125.06 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.423 ' O ' HD13 ' A' ' 129' ' ' LEU . . . -175.62 -162.55 26.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.6 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -117.88 160.4 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 m -137.53 133.71 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.83 139.46 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.07 -141.16 3.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.8 m -131.82 136.04 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 t -134.17 149.29 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -99.13 118.94 36.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -153.23 93.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.52 -178.45 4.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -114.11 104.61 12.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.23 33.48 20.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.09 110.5 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 81.96 7.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' ILE . 2.9 tt -136.05 92.89 15.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.82 122.54 10.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.534 2.156 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 124' ' ' PRO . 0.6 OUTLIER -103.81 140.28 20.91 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.4 ' HD2' HD23 ' A' ' 123' ' ' LEU . 60.3 Cg_endo -72.6 134.59 22.52 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.367 2.044 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.23 137.36 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.503 HD23 ' C ' ' A' ' 126' ' ' LEU . 9.4 tt -135.61 120.35 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.679 HD22 HG22 ' A' ' 144' ' ' ILE . 1.4 pp -145.65 147.65 33.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.34 158.09 52.16 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.56 2.174 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.568 ' C ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.06 171.83 16.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.567 ' N ' HD22 ' A' ' 129' ' ' LEU . . . -170.44 153.3 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.3 t -140.95 123.19 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.842 HG12 ' HG ' ' A' ' 104' ' ' LEU . 15.6 m -132.77 134.84 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 102' ' ' PHE . . . 168.16 -157.12 29.17 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -140.81 145.37 36.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 56.87 -147.58 33.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.94 -15.53 40.21 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.49 111.02 25.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.8 m -138.14 129.05 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -82.22 120.2 25.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 117.9 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 12.6 ptm -111.09 125.75 54.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 127' ' ' LEU . 26.7 m -117.94 146.03 44.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . 0.558 ' CZ ' HG23 ' A' ' 153' ' ' VAL . 2.4 t80 -121.75 132.48 54.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.679 HG22 HD22 ' A' ' 127' ' ' LEU . 1.7 pt -119.07 99.91 50.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.99 167.66 25.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.443 2.095 . . . . 0.0 112.366 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 142.41 -85.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.0 165.31 3.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -60.24 -67.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 60.21 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -108.14 35.4 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.42 36.74 89.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -136.36 44.58 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 143' ' ' TYR . 5.4 m -121.03 102.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -138.03 137.2 37.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -110.74 122.04 46.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -89.97 156.89 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.87 136.95 11.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.76 119.77 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 39.2 ttt180 -100.72 129.71 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . 0.44 ' HB3' HD11 ' A' ' 26' ' ' LEU . 11.3 t80 -130.44 147.0 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -96.77 133.46 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.23 161.1 30.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.95 149.74 27.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.04 87.9 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -124.47 103.82 8.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -174.02 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.66 137.06 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.63 117.75 10.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -107.35 109.13 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.869 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mmt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -161.51 -46.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.68 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.07 -57.08 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.12 -25.94 65.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.715 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -70.05 -49.63 49.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -35.07 74.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -60.13 -31.76 70.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.5 m -77.11 -38.0 53.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 14' ' ' ILE . 28.3 m-85 -75.06 -36.74 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.45 97.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.16 -35.13 71.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.36 -50.29 47.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 10' ' ' PHE . 8.3 tp -66.48 -37.89 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.4 -31.21 63.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -73.52 -58.38 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.19 -35.12 74.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -74.13 -30.73 62.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.21 -76.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -66.58 111.8 7.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' HD21 ' A' ' 58' ' ' LEU . 38.6 Cg_exo -57.33 126.69 22.82 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.424 2.083 . . . . 0.0 112.272 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -74.95 -31.66 61.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.29 160.95 40.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.85 113.94 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -118.8 150.29 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -140.56 134.62 30.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -111.01 119.55 39.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.9 pt -138.52 154.11 73.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.57 178.47 3.81 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.606 2.204 . . . . 0.0 112.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 31' ' ' ILE . . . -122.18 100.07 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.584 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.2 pp -157.28 123.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -152.75 36.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -162.94 77.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -35.65 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.2 -27.31 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.48 36.59 6.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -151.96 76.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.82 116.73 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -98.52 115.22 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.02 155.98 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -113.98 -55.93 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -176.37 76.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tttm 59.72 31.64 20.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.67 154.51 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.01 -47.41 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 60.34 163.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.52 131.84 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -83.13 126.24 32.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -80.95 127.61 32.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.1 89.32 38.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.12 105.39 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.496 2.13 . . . . 0.0 112.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -134.61 -46.69 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.96 -178.89 43.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.409 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.05 -178.36 37.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.597 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -145.94 161.77 28.29 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -152.02 142.82 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.42 -155.26 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 21' ' ' PRO . 5.6 mp -131.98 177.17 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -143.41 140.39 30.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HD2' ' CD2' ' A' ' 68' ' ' HIS . 6.7 ttm-85 -121.55 149.58 42.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -113.91 140.0 48.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -110.59 137.9 47.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.73 -20.15 32.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.392 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.82 26.08 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.696 0.284 . . . . 0.0 111.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.52 56.44 11.61 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.616 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -131.95 156.17 46.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -140.09 100.54 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' CD2' ' HD2' ' A' ' 60' ' ' ARG . 86.5 m-70 -68.46 126.01 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -106.41 109.97 3.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.3 mp -123.9 119.89 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -152.95 158.56 42.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.95 109.89 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.683 ' HB2' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -93.44 168.97 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.3 138.06 13.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -107.97 107.0 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.93 97.03 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -108.61 147.29 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.6 -30.18 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -110.15 36.34 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -156.12 -83.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.09 162.06 0.34 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.1 p90 -115.06 121.33 42.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -142.45 124.99 9.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.985 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.73 166.0 15.45 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.403 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 73' ' ' MET . 41.8 pt -156.12 140.08 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.0 140.79 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.38 165.34 29.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.638 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -144.27 152.98 41.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.9 -161.18 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -142.95 150.01 39.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -145.89 145.69 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -107.38 119.4 39.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.4 p -98.59 141.17 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -151.99 144.78 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -100.51 142.69 25.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' ARG . 45.3 Cg_exo -56.21 -165.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.477 2.118 . . . . 0.0 112.322 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.1 tt -112.31 31.07 6.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.87 -59.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.66 129.55 52.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.76 36.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 69.5 m-20 -127.42 -46.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -68.2 132.32 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -98.61 135.55 39.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 132' ' ' VAL . 1.6 mt -145.29 119.53 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.57 174.56 31.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.906 HD23 ' HB2' ' A' ' 130' ' ' ALA . 8.0 mt -144.85 156.29 43.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.48 -162.07 27.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.73 147.3 48.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.723 ' OG1' HD13 ' A' ' 129' ' ' LEU . 55.9 p -126.13 137.97 53.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 129.99 55.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.54 140.77 16.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.516 HG13 ' HB2' ' A' ' 122' ' ' PRO . 29.2 t -118.87 124.43 73.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 29.3 m -115.06 134.86 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.32 145.81 24.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -134.78 135.92 42.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 60.23 175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -111.29 -37.85 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -71.9 -35.67 69.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -109.22 100.17 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -85.86 86.27 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.58 105.38 43.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HB2' HG13 ' A' ' 112' ' ' VAL . 41.4 Cg_endo -67.63 143.33 61.88 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.365 2.043 . . . . 0.0 112.245 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.77 86.07 2.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.1 128.97 13.56 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.592 2.195 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 125' ' ' VAL . 17.2 m -141.58 120.99 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 126' ' ' LEU . 4.3 pp -96.59 140.83 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 129' ' ' LEU . 1.7 mt -147.91 135.97 11.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 36.1 Cg_exo -60.87 139.56 85.73 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.408 2.072 . . . . 0.0 112.075 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.723 HD13 ' OG1' ' A' ' 109' ' ' THR . 1.8 mp -149.93 161.42 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.906 ' HB2' HD23 ' A' ' 106' ' ' LEU . . . -143.12 147.13 34.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.0 t -118.0 114.35 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.656 HG23 ' HG ' ' A' ' 104' ' ' LEU . 10.6 p -143.98 124.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.17 -163.7 27.3 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.572 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 101' ' ' ASN . 9.8 t80 -144.61 141.47 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.36 -142.59 42.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.87 -21.8 43.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.085 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.58 128.66 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.1 m -132.73 126.29 32.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -93.04 124.99 37.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -108.6 121.09 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 15.1 mtt -107.48 147.73 30.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 62.3 m -130.02 137.74 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -119.01 148.66 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.8 pt -107.63 141.82 23.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.51 170.04 21.16 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.502 2.135 . . . . 0.0 112.266 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.15 -177.33 29.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.546 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.6 t -90.25 109.76 20.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 61.11 31.2 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -97.2 83.0 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -139.98 109.22 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.59 28.02 13.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.09 -48.59 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.39 124.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.12 140.89 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.91 135.75 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -107.33 151.62 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -146.18 152.94 40.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.49 124.24 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -119.44 106.11 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.68 140.0 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.31 118.78 34.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -127.92 160.71 31.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.7 tp -153.64 147.85 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -107.96 114.19 27.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -67.69 -31.93 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -97.44 37.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -100.1 36.2 1.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -151.57 123.65 8.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -82.07 164.7 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.783 0.325 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.54 -56.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.89 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.366 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -77.07 -57.08 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.76 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' THR . 3.5 tt0 -70.49 -25.93 63.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.763 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -72.89 -31.81 64.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -48.14 16.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 5' ' ' GLU . 10.2 t -59.4 -41.32 89.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' GLU . 22.4 p -61.76 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -41.35 76.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.06 -31.8 66.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -75.68 -38.24 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -61.63 -57.0 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 15' ' ' ALA . 2.6 pp -65.59 -33.82 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' N ' HD12 ' A' ' 14' ' ' ILE . . . -70.08 -29.44 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -79.06 -30.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -70.78 -32.04 69.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -93.27 -46.49 7.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -31.28 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.01 174.46 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.33 114.8 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.461 2.107 . . . . 0.0 112.285 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -99.44 -49.11 4.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 124.93 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -111.07 102.95 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.38 132.37 48.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 144.94 37.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 127.64 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.71 135.52 21.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.7 174.19 12.17 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.46 2.107 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.73 179.18 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 pt -100.05 140.06 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 t -117.6 151.11 37.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -110.9 92.47 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.63 113.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.44 -58.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -98.44 29.12 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 58.08 105.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.47 94.95 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -64.95 124.42 22.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.45 154.67 17.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.91 -58.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.43 38.1 19.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -111.06 -64.06 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.9 t -94.12 139.14 31.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 118.98 38.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.63 162.37 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -107.17 100.95 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -84.92 147.88 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -106.48 151.57 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -112.73 88.2 11.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.19 -29.73 26.12 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.518 2.145 . . . . 0.0 112.381 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 1.1 m0 63.12 127.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.32 -157.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.46 161.86 34.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.96 149.96 18.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.81 134.51 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.11 -162.62 20.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 58' ' ' LEU . 2.1 pt? -130.85 177.97 7.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -139.58 164.34 30.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.22 136.05 11.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 30.3 p-90 -108.33 131.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -100.78 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -22.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.312 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -92.59 26.08 2.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.82 52.88 34.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.07 102.41 5.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -88.48 105.59 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.19 126.03 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.29 134.6 7.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.28 113.96 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -127.07 149.81 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -127.73 110.04 12.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.7 ttt -93.19 169.03 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.94 137.95 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -115.35 106.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -90.17 111.32 22.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.97 150.85 33.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -84.65 -17.02 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -52.87 -64.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -128.54 -76.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.57 169.24 23.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -72.41 151.06 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -115.06 124.93 29.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.38 147.4 22.81 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.472 2.114 . . . . 0.0 112.376 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' ILE . 1.4 tp -156.07 117.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.009 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.43 157.82 18.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.55 136.11 4.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -156.98 148.98 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.25 -168.93 35.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -107.75 149.89 27.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -140.94 145.27 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 p -121.56 103.69 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 93' ' ' THR . 9.9 t -77.97 119.06 20.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -113.28 153.82 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.61 137.86 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.37 -167.87 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.501 2.134 . . . . 0.0 112.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 138.04 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.54 31.15 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -168.9 122.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -106.44 -33.67 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -60.29 -31.19 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -82.67 132.68 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -121.23 138.32 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 104' ' ' LEU . 3.9 pp -150.44 122.98 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.31 -178.52 16.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.562 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.15 143.09 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -167.55 -174.93 37.03 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -114.16 146.97 39.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.84 114.45 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.44 121.18 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.446 ' O ' HG12 ' A' ' 125' ' ' VAL . . . -108.17 136.91 13.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.566 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.95 136.33 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.8 155.96 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.75 152.19 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -101.19 -179.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -79.91 -43.53 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.89 111.65 23.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -64.3 94.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -130.75 -48.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -105.8 168.46 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.9 pt -80.69 159.13 69.88 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.76 165.39 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.574 2.182 . . . . 0.0 112.254 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -124.01 86.39 53.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.03 156.6 55.8 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 111' ' ' GLY . 11.2 p -153.86 141.33 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.2 mt -93.64 134.68 35.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.2 mt -144.8 99.87 4.7 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 141.86 42.32 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.556 2.17 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.749 ' HB3' HG23 ' A' ' 142' ' ' THR . 4.0 pp -161.71 171.59 17.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -119.34 158.69 25.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 m -116.44 132.74 56.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.26 120.36 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.01 111.01 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.58 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -135.19 114.98 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.65 -150.89 30.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.13 -7.25 20.3 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.59 2.193 . . . . 0.0 112.671 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 138' ' ' THR . 20.3 t -107.99 155.02 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.411 ' N ' HG12 ' A' ' 137' ' ' VAL . 2.7 p -136.28 138.3 41.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.71 145.97 47.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.481 ' CG ' HD13 ' A' ' 129' ' ' LEU . 32.8 tt0 -130.77 116.78 18.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 3.0 mtt -104.62 135.94 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.749 HG23 ' HB3' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -103.55 146.03 29.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -129.86 134.66 47.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -124.34 110.78 28.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 145.46 58.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.388 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -106.25 45.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.424 ' HB ' ' CD1' ' A' ' 148' ' ' TYR . 0.2 OUTLIER 67.68 -69.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.424 ' CD1' ' HB ' ' A' ' 147' ' ' THR . 16.2 m-85 -105.93 29.27 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.63 88.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -175.28 138.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.93 90.66 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.583 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -64.28 167.81 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.87 132.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.17 118.19 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -104.06 150.34 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -130.81 134.96 47.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -143.34 140.07 30.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.4 ttm -96.94 146.61 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 144.92 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.84 122.72 21.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -100.93 119.34 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.02 152.56 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 tp -131.9 147.42 52.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -88.28 116.19 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -70.5 121.67 18.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.25 -62.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -176.73 128.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -107.06 123.87 48.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -166.43 32.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.29 82.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.26 -20.47 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.309 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -77.1 -57.02 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.632 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -67.09 -25.99 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.681 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.58 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.79 -31.52 72.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -51.11 27.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -63.29 -33.14 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.66 -39.34 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -63.63 -31.6 72.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.56 -31.46 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -71.2 -52.47 18.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -36.37 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.54 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -70.92 -41.67 70.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -82.74 -30.92 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -76.67 -31.87 57.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -103.22 -69.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.61 160.51 1.36 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.86 -178.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.629 2.219 . . . . 0.0 112.295 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -122.18 -52.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -77.94 128.3 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.476 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 5.8 m-85 -124.49 156.43 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.555 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.2 m-20 -121.21 142.89 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 25' ' ' ASP . 8.6 mp -131.68 126.41 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.88 126.32 52.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.2 tt -158.94 138.82 8.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.41 149.72 22.54 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.456 2.104 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.36 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 pt -100.63 134.35 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -152.23 -62.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.9 122.27 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.76 113.21 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 87.98 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -132.22 -46.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -77.13 -54.72 6.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.9 107.49 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -61.01 144.57 53.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -81.04 129.2 34.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -136.49 152.44 50.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.85 113.86 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.53 -47.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -96.32 170.73 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.12 175.3 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 60.49 158.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.29 157.61 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -97.25 137.18 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -107.46 115.65 30.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.55 146.95 35.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.4 -171.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.478 2.119 . . . . 0.0 112.246 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -130.84 127.0 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.33 120.7 3.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.97 147.27 10.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.87 173.47 35.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -152.02 148.95 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.84 -174.29 28.35 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.476 HD21 ' CZ ' ' A' ' 24' ' ' TYR . 19.4 mt -128.97 163.03 26.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.18 165.94 28.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -145.51 147.08 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -86.84 137.72 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -104.3 129.29 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.84 -23.58 4.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.513 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.88 26.08 2.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.29 51.73 54.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -131.44 157.12 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -126.42 96.89 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 90' ' ' TRP . 1.1 m-70 -106.38 141.65 37.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.57 160.35 24.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.95 155.88 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -152.54 142.47 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.66 115.26 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 177.66 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.99 140.76 40.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.25 150.09 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -112.55 140.29 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.41 175.15 7.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -79.53 -30.16 41.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.13 29.91 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 59.65 90.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -156.74 76.85 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.63 117.02 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -131.53 134.02 25.05 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.64 163.53 31.6 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.511 2.141 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.52 119.27 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.55 125.8 43.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.78 141.71 11.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -155.44 148.3 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.85 -159.29 21.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.421 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 41.0 p-90 -138.37 149.83 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -138.48 146.41 42.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.08 100.25 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -90.84 144.32 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -131.36 142.96 50.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 142.58 56.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.49 ' HD3' HD21 ' A' ' 104' ' ' LEU . 88.7 Cg_endo -82.89 7.35 5.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.723 2.282 . . . . 0.0 112.85 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 98' ' ' ALA . 0.2 OUTLIER 64.89 157.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.475 ' H ' HD13 ' A' ' 97' ' ' LEU . . . 62.37 31.05 17.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -155.71 -58.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 59.87 37.17 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -146.11 -50.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.95 152.98 44.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.484 ' C ' HD23 ' A' ' 104' ' ' LEU . 12.2 p-80 -131.69 128.08 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -149.77 131.88 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -172.37 -163.26 25.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.36 170.97 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.49 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.37 144.94 44.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.814 HG22 HD22 ' A' ' 129' ' ' LEU . 9.7 t -131.68 147.01 52.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.99 122.66 48.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.785 ' O ' HG22 ' A' ' 125' ' ' VAL . . . -108.17 119.49 5.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 122' ' ' PRO . 21.4 t -118.24 117.61 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.9 m -107.28 122.44 46.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.768 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -117.28 158.85 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -121.6 121.46 37.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -81.8 -29.04 32.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -57.8 -42.09 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -176.39 93.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -176.52 126.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -83.11 -60.49 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.7 mm -101.2 135.74 19.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.768 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 71.8 Cg_endo -74.55 -168.14 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.37 2.047 . . . . 0.0 112.384 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.9 mt -123.49 86.42 52.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.83 148.99 41.91 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.589 2.192 . . . . 0.0 112.354 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 111' ' ' GLY . 22.7 m -153.95 160.24 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mp -130.18 132.92 46.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.538 HD22 ' CG2' ' A' ' 144' ' ' ILE . 4.1 pp -148.02 147.48 26.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.22 158.01 52.71 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.534 2.156 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.814 HD22 HG22 ' A' ' 109' ' ' THR . 2.5 pt? -165.85 160.89 17.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -125.05 143.51 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 m -113.84 120.79 41.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 104' ' ' LEU . 11.4 m -141.7 130.73 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -161.92 175.19 38.45 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.571 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 137' ' ' VAL . 12.8 m-85 -135.4 115.0 12.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 58.67 -119.02 15.63 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.562 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.06 -37.31 2.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.548 2.165 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 134' ' ' TYR . 16.8 m -75.43 135.48 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.126 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.42 HG22 ' HD2' ' A' ' 159' ' ' ARG . 18.1 m -138.04 148.01 44.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -130.53 141.67 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.03 121.93 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -114.62 125.37 53.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.9 p -115.41 144.87 43.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -111.66 113.21 25.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.802 HD11 ' CE1' ' A' ' 155' ' ' PHE . 1.7 pt -125.8 99.9 31.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 137.88 33.96 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.506 2.138 . . . . 0.0 112.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.82 -94.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.0 p -88.78 177.05 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -103.0 157.88 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -162.7 -63.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -145.17 35.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.14 34.75 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.548 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -174.99 149.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 153' ' ' VAL . 28.8 m -121.36 110.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -106.88 134.61 49.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.802 ' CE1' HD11 ' A' ' 144' ' ' ILE . 49.2 m-85 -107.45 116.1 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.9 146.1 28.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -141.92 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.71 145.2 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.42 ' HD2' HG22 ' A' ' 138' ' ' THR . 0.1 OUTLIER -152.01 151.03 30.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.14 147.05 48.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -106.86 124.95 50.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.49 144.88 25.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.63 111.91 3.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.72 107.75 20.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -96.06 179.16 5.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.5 130.88 52.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -85.06 122.54 29.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -109.06 -63.97 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.27 -48.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.851 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.794 0.33 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -175.67 151.08 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.31 -18.39 58.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.448 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 8' ' ' THR . 71.0 m-20 -77.09 -57.07 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.602 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.89 -25.94 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -74.86 -40.48 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.5 mmt -76.36 -30.74 57.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 4' ' ' ASP . 17.4 p -59.17 -28.96 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 p -57.9 -34.79 70.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.04 -45.4 41.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -35.18 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -39.18 84.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.36 -47.23 82.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.75 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -70.91 -36.79 72.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.85 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -81.86 -39.45 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -53.42 14.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 60.42 54.42 3.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.84 113.57 3.43 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.511 2.14 . . . . 0.0 112.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -167.29 33.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -94.07 135.44 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -111.18 113.95 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -105.26 134.66 48.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -104.37 137.68 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -119.53 121.08 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 tt -140.69 126.62 11.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.85 121.67 8.11 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.477 2.118 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.77 144.21 31.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 pt -99.88 142.93 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -133.41 118.73 18.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 60.97 111.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -123.5 145.46 48.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.95 176.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.215 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 37' ' ' PHE . 16.7 mtm180 -86.73 -71.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.404 ' CD2' ' N ' ' A' ' 38' ' ' ALA . 41.9 p90 -171.52 -48.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' ' CD2' ' A' ' 37' ' ' PHE . . . -97.81 143.65 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.32 117.87 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.17 165.54 4.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -65.96 -31.83 72.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -157.51 -63.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -60.77 121.02 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -123.52 -177.39 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -137.04 34.63 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.07 156.79 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.35 148.51 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -82.04 166.0 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.48 106.03 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -69.81 161.25 76.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.06 127.91 25.12 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.31 29.29 8.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.2 -112.7 4.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.601 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.96 150.28 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -107.75 149.83 16.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.35 144.29 9.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -111.86 155.68 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.89 141.45 40.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -147.22 118.22 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.92 135.89 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.7 122.33 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.55 -21.83 18.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.393 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.37 26.12 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.234 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.17 52.13 38.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.56 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.03 154.68 49.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 115.44 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -110.12 132.63 54.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.12 127.34 3.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.17 153.69 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -126.91 118.05 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.05 110.06 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.679 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.4 tpp -114.01 163.63 14.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -146.1 138.19 25.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -130.15 153.03 48.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' CE2' ' A' ' 82' ' ' TRP . 10.0 tttp -98.45 102.87 14.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.15 156.85 20.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 t -70.43 -30.05 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -67.13 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -176.79 -66.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.5 177.14 0.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 82' ' ' TRP . 6.4 m95 -112.89 147.59 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.53 124.83 65.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.88 150.17 20.82 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.157 . . . . 0.0 112.407 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 73' ' ' MET . 24.2 mt -141.93 116.99 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -125.03 157.93 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.95 162.21 27.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -143.13 133.83 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -137.31 169.4 24.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.642 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -131.84 149.07 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -144.28 153.06 41.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.4 m -103.71 132.25 50.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.47 134.6 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -151.93 139.08 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -120.51 101.89 45.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.39 -45.25 38.89 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.479 2.119 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.96 -179.23 5.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.94 41.48 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -107.69 -51.02 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.84 27.81 9.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 56.5 31.22 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -59.14 125.82 25.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -115.54 153.13 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 104' ' ' LEU . 10.1 tt -147.78 143.16 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.34 137.03 7.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -133.78 136.38 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.501 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 173.92 -166.54 38.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -126.02 159.59 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.5 p -132.85 146.98 52.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.11 113.95 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -102.63 124.25 8.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.504 HG12 ' CA ' ' A' ' 124' ' ' PRO . 17.7 m -115.98 131.39 68.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.819 0.343 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.1 p -135.48 154.01 51.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -108.79 159.01 17.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.79 -172.46 1.28 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -106.7 35.83 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -147.22 73.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 65.73 -76.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.95 -174.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.789 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.66 104.83 56.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.01 146.13 76.17 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.64 120.61 80.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.504 ' CA ' HG12 ' A' ' 112' ' ' VAL . 80.5 Cg_endo -78.01 166.0 25.49 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.132 . . . . 0.0 112.337 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.07 120.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 tp -96.23 124.47 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.98 146.06 22.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.457 ' C ' HD12 ' A' ' 129' ' ' LEU . 59.6 Cg_endo -72.11 143.5 40.27 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.381 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.464 ' HG ' HG23 ' A' ' 142' ' ' THR . 3.5 mp -147.6 160.93 42.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -133.93 -176.57 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.4 p -170.32 157.55 6.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.94 123.38 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.02 113.13 4.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -129.63 114.92 16.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.14 -149.49 30.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.596 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.64 -10.84 27.27 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.609 2.206 . . . . 0.0 112.598 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.8 m -104.65 155.03 6.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.1 125.74 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.471 ' HE1' ' HB1' ' A' ' 156' ' ' ALA . 0.3 OUTLIER -106.54 138.62 42.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.69 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 8.6 mtt -107.06 155.99 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' HG ' ' A' ' 129' ' ' LEU . 10.3 m -129.85 136.61 49.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -112.61 122.37 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.39 99.87 12.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.73 125.94 10.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.443 2.095 . . . . 0.0 112.325 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -166.12 172.12 41.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 t -105.42 77.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.15 -179.07 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -72.43 -34.84 68.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -106.64 -48.42 3.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.32 33.55 77.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.99 91.88 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.39 132.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -124.45 133.41 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -104.87 140.01 38.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.471 ' HB1' ' HE1' ' A' ' 139' ' ' PHE . . . -118.89 136.86 53.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 119.1 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.0 141.52 28.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 153.98 42.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -136.95 129.35 29.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.84 128.16 34.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -124.45 146.13 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.05 157.42 18.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -105.93 142.27 35.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.51 153.47 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -90.93 150.2 21.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -106.02 127.41 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -111.74 -60.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -124.77 79.89 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.822 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.874 0.368 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.66 29.1 3.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.8 -19.75 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.05 -57.09 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.76 -25.9 64.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.761 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -71.79 -30.19 65.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 tpt -59.37 -30.13 68.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.1 p -58.66 -36.06 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.5 m -75.52 -41.87 54.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -69.76 -31.04 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -56.12 -30.53 62.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -42.35 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.43 -41.88 84.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.85 -30.3 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.28 -54.4 41.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.77 -44.86 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.9 m -59.44 -39.16 82.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -65.85 -40.21 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.84 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.07 90.63 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.574 2.182 . . . . 0.0 112.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -134.26 31.34 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -65.02 137.8 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -106.94 122.02 45.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -117.13 115.94 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tt -103.02 119.32 38.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -113.2 150.75 31.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -153.12 153.54 29.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.92 -168.15 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.538 2.159 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.54 -169.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.9 tp -157.72 143.35 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.09 92.38 4.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.41 124.31 48.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -170.59 -48.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.41 -35.78 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 60.72 31.69 20.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -159.47 86.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.3 124.2 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.43 153.62 38.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.76 120.22 41.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -159.42 177.2 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.55 152.72 36.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 64.22 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -174.1 149.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -107.93 -38.17 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -177.42 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -123.02 162.98 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -112.99 129.81 56.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -81.76 166.01 20.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -84.53 131.83 48.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.26 -171.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.456 2.104 . . . . 0.0 112.311 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.93 49.0 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.759 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.95 171.73 4.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.558 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.2 141.41 3.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.432 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -154.16 -174.24 24.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -127.14 174.11 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.41 153.88 25.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.52 177.95 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.5 t -144.15 150.49 38.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -151.22 139.47 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -91.04 131.26 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.6 OUTLIER -108.95 127.8 54.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.39 -22.22 11.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -91.22 26.09 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.255 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.45 51.28 53.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.5 m120 -131.99 157.01 45.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -131.01 90.14 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -70.39 137.21 50.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.72 131.73 6.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -88.36 142.55 27.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.684 ' N ' HD13 ' A' ' 70' ' ' LEU . 2.9 m-85 -124.5 118.33 26.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.32 109.97 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -139.13 178.05 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.45 138.02 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 83' ' ' GLU . 16.8 p90 -113.15 122.23 46.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.21 140.41 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -120.01 169.19 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 m -71.16 -29.35 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -119.16 -42.06 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.39 119.34 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -53.95 140.96 29.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 p90 -59.95 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 75' ' ' PHE . 1.1 mm-40 -146.2 124.97 6.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.39 169.63 16.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.476 2.117 . . . . 0.0 112.417 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 85' ' ' ILE . 18.7 tt -155.91 123.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -123.65 144.36 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.24 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.34 177.17 43.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CE2' HD23 ' A' ' 70' ' ' LEU . 11.0 m-85 -119.31 151.49 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.03 157.61 27.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -114.52 147.27 39.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -146.94 152.97 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -129.21 114.1 15.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.8 p -81.61 143.77 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -132.88 154.35 50.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -97.13 144.74 28.4 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.03 -167.69 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.5 2.134 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -122.97 -43.83 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.79 42.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.58 156.63 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -116.75 -34.48 4.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.049 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.05 35.35 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -124.06 140.6 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -123.87 144.58 49.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.04 129.43 9.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -161.56 178.12 37.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.0 mp -142.39 168.56 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.59 -173.34 44.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -130.16 137.44 50.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.598 ' OG1' HD21 ' A' ' 129' ' ' LEU . 59.8 m -112.51 130.08 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 88' ' ' TYR . . . -113.75 114.04 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.13 143.98 15.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.22 127.56 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 m -103.68 113.93 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -128.84 122.62 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -69.83 151.59 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.69 -30.96 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.35 36.96 2.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -151.65 -177.91 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.86 -162.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.799 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 71.12 157.38 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.905 0.383 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.4 pp -71.89 153.48 92.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 121' ' ' ILE . 35.8 Cg_endo -65.1 -173.76 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.569 2.179 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 125' ' ' VAL . 7.8 tt -128.01 98.98 26.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.62 153.6 64.86 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.384 2.056 . . . . 0.0 112.224 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.437 HG13 HD23 ' A' ' 123' ' ' LEU . 10.5 m -153.97 129.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 110' ' ' ALA . 5.6 mp -112.8 129.28 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 128' ' ' PRO . 2.7 mt -138.18 125.14 13.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 127' ' ' LEU . 39.2 Cg_exo -60.78 153.62 61.32 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.411 2.074 . . . . 0.0 112.188 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' OG1' ' A' ' 109' ' ' THR . 1.1 pt? -165.18 159.75 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.88 162.9 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.98 118.04 22.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.01 124.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.38 -167.98 41.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.539 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -145.93 146.96 31.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 57.23 -146.26 36.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.42 -17.35 44.01 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.3 113.61 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.29 127.83 34.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.42 130.71 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 115.98 28.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 5.9 mtt -101.34 126.53 48.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -117.23 140.05 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -109.49 159.05 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.627 HG23 ' O ' ' A' ' 144' ' ' ILE . 11.4 tt -134.15 100.0 13.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.27 139.61 53.73 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.432 2.088 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -139.01 111.6 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 148' ' ' TYR . 6.5 m -94.3 133.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.557 ' CD2' HG22 ' A' ' 147' ' ' THR . 71.0 m-85 60.36 31.63 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -146.08 -169.99 3.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -167.14 160.21 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.97 29.25 4.4 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -62.96 115.34 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.5 m -107.71 129.95 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.76 137.59 55.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -106.01 119.61 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -93.71 133.01 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -129.2 144.21 51.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 23.1 mmm -92.73 147.88 22.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -137.8 135.71 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -117.92 146.94 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.26 140.47 36.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -136.99 118.65 14.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 163' ' ' LEU . 1.0 OUTLIER -100.6 148.69 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -94.35 107.47 19.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.977 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -131.82 177.12 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -142.96 140.24 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -100.45 99.59 10.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 114.01 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.61 141.48 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.2 m80 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -177.53 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.94 -21.86 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.455 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -56.99 4.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.551 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.6 -25.76 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.433 ' O ' HG22 ' A' ' 9' ' ' THR . 1.6 t-105 -76.29 -34.44 59.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 ttm -63.78 -38.5 91.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -43.05 92.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 6' ' ' TRP . 10.3 t -78.03 -31.42 50.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -74.98 -30.95 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -57.99 -35.11 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -78.89 -31.27 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -72.68 -48.19 41.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 10' ' ' PHE . 4.7 mt -63.35 -46.32 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -67.08 -47.28 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.4 m -64.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -46.31 63.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -70.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 58.62 80.46 0.28 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.21 90.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.327 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.31 82.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' HB3' HD23 ' A' ' 163' ' ' LEU . 29.0 p80 -151.93 152.91 33.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -84.17 143.34 29.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -122.89 126.49 47.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 132.89 55.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.44 113.55 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' CE ' ' A' ' 158' ' ' MET . 9.6 mt -129.73 136.02 28.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 28' ' ' ILE . 56.5 Cg_endo -70.51 101.16 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.431 2.087 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.26 179.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -132.96 158.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.022 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 p -150.17 167.57 26.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -108.74 104.41 13.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -78.75 121.47 24.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.34 152.09 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -72.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.08 86.69 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.79 148.46 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -107.58 113.8 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -83.88 107.95 16.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -151.2 31.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -134.6 176.08 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -106.43 31.92 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -103.95 148.91 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -151.15 83.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.01 31.96 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -75.29 119.85 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -104.37 149.16 25.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -98.67 152.3 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -134.76 139.9 33.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.83 136.39 32.67 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.469 2.113 . . . . 0.0 112.369 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -97.86 36.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 -81.98 1.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 -158.85 51.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.96 147.87 19.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.548 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 p90 -150.58 146.14 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.71 -144.97 5.47 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mp -136.73 169.08 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.71 140.9 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -109.39 147.6 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -113.43 144.67 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER -124.94 130.67 52.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -56.28 -20.5 18.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.483 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -90.76 26.08 2.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.669 0.271 . . . . 0.0 111.287 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.59 54.25 27.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.584 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.12 114.76 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -104.89 97.7 7.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.97 148.9 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 121.66 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -132.04 123.57 27.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -152.98 132.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.97 118.35 26.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -90.94 143.33 26.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.22 139.01 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -105.99 108.91 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -83.09 135.99 34.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -92.63 -179.13 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.7 p -76.58 -31.18 57.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -112.79 -70.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -168.7 93.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.23 52.12 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -61.81 125.51 24.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -99.68 125.06 41.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.08 126.25 9.8 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.503 2.136 . . . . 0.0 112.318 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 86' ' ' ALA . 23.5 mt -149.67 154.05 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 85' ' ' ILE . . . -136.75 152.4 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.27 135.96 5.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.537 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -156.94 145.09 19.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.21 -172.9 32.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 22.0 m0 -101.1 149.99 23.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.41 131.55 30.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.54 111.3 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -95.47 142.55 27.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -123.42 126.79 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 2.5 ptt85 -124.47 101.82 33.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.626 ' HB2' HD12 ' A' ' 97' ' ' LEU . 51.0 Cg_exo -53.93 -49.31 17.59 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.457 2.104 . . . . 0.0 112.261 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 96' ' ' PRO . 5.9 mp -128.71 -50.72 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 95' ' ' ARG . . . 60.9 98.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.37 -57.09 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.09 -74.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -176.11 37.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -102.82 125.27 49.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 95' ' ' ARG . 71.0 m80 -133.07 149.01 52.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.56 123.84 15.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.56 -159.48 9.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.84 160.2 35.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.7 -170.29 26.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 90' ' ' TRP . 17.4 p90 -142.1 123.25 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.513 HG23 HD11 ' A' ' 129' ' ' LEU . 26.0 p -103.12 131.7 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.63 116.51 30.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -95.09 150.64 19.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.425 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.65 130.96 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.191 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 123' ' ' LEU . 2.8 t -135.1 110.25 8.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 122' ' ' PRO . . . -108.0 138.25 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.71 110.82 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.49 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.68 37.27 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -159.96 -45.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.673 ' HB3' HD12 ' A' ' 121' ' ' ILE . 15.0 m120 -93.86 -178.65 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -133.02 37.68 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.673 HD12 ' HB3' ' A' ' 119' ' ' ASN . 3.2 mp -119.84 92.92 47.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 55.8 Cg_endo -70.29 -168.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.547 2.165 . . . . 0.0 112.3 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HB3' HG23 ' A' ' 113' ' ' THR . 4.0 tp -123.26 88.15 51.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 150.5 49.14 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.64 2.227 . . . . 0.0 112.312 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.98 123.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.4 mp -93.55 139.41 30.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.405 HD21 ' CG2' ' A' ' 142' ' ' THR . 6.0 tp -148.03 108.05 3.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.487 ' C ' HD13 ' A' ' 129' ' ' LEU . 95.7 Cg_endo -80.05 144.06 16.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.544 2.163 . . . . 0.0 112.635 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -151.36 -178.96 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -116.71 144.18 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -110.21 126.67 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.93 114.97 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.65 111.01 4.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.55 114.96 15.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.823 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.23 -150.65 40.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.83 -3.32 13.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.691 2.261 . . . . 0.0 112.75 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 138' ' ' THR . 21.3 t -116.02 155.09 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 111.211 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -126.11 144.61 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.798 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.43 145.97 48.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -132.69 152.38 51.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.93 118.46 21.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.405 ' CG2' HD21 ' A' ' 127' ' ' LEU . 23.8 m -93.97 116.87 29.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -141.78 121.78 13.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 32.8 mt -104.82 99.98 21.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 134.29 27.41 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -145.39 168.48 27.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.4 t -116.2 118.21 32.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.4 t80 60.38 33.29 20.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.74 -43.19 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 60.55 175.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.03 28.12 42.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -81.83 120.84 25.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.58 123.25 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.76 115.47 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.04 139.93 38.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -106.73 140.22 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -129.93 147.27 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 28' ' ' ILE . 1.7 ttp -110.88 138.38 47.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.5 144.0 49.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -127.98 146.89 50.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -124.75 131.01 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.39 119.2 38.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 23' ' ' HIS . 4.1 mt -132.97 162.51 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -117.91 126.04 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -100.97 30.66 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 4.2 m80 59.88 108.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -54.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -87.87 139.14 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.71 36.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.0 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.845 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 mtt . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 60.52 95.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.08 -21.08 58.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.342 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.17 -49.92 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.638 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -79.72 -25.87 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -68.34 -32.45 72.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -77.92 -31.13 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 p -69.21 -42.1 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.49 -34.76 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.97 -31.02 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -56.34 -31.2 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.006 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -36.95 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 17' ' ' THR . 44.3 m-20 -70.41 -45.36 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.3 pt -65.22 -35.97 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.98 -56.73 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -56.22 -48.0 77.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 13' ' ' ASN . 73.2 p -62.83 -29.74 70.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -59.44 -55.19 37.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -75.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.28 -60.84 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.51 152.48 38.5 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.548 2.166 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -110.02 -31.91 7.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.505 ' O ' HD23 ' A' ' 58' ' ' LEU . 13.2 m-70 -152.44 179.98 8.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -131.43 143.31 50.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -136.0 163.37 30.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -134.77 133.95 40.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -118.77 114.37 22.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.33 151.75 72.02 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.19 149.93 20.73 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.562 2.175 . . . . 0.0 112.369 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.04 79.33 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 tt -122.71 134.4 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 t -67.74 113.81 5.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -106.04 31.43 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -72.96 -61.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.25 133.95 51.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.94 151.41 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -171.41 75.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 93.08 5.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -107.55 86.88 2.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -69.08 142.69 54.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.85 -41.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.02 107.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -104.23 -37.35 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 t -126.27 36.22 4.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -97.38 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -129.51 -47.58 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.48 162.31 8.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -106.98 165.65 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -81.74 153.24 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -87.35 162.46 42.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.37 -60.88 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.556 2.171 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.414 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.1 OUTLIER 60.27 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.9 165.42 13.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.26 175.45 45.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' HD13 ' A' ' 26' ' ' LEU . . . -178.53 -175.7 45.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.69 174.04 11.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.46 163.78 29.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.705 HD12 HD13 ' A' ' 70' ' ' LEU . 7.2 mt -128.96 178.01 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.29 151.46 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.78 169.85 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 67' ' ' TRP . 43.3 m95 -110.62 138.83 46.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -114.62 126.14 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.63 -21.83 11.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.45 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.01 26.05 2.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.265 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.22 49.59 65.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.399 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -132.02 157.09 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.318 . . . . 0.0 111.007 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CZ2' ' CZ2' ' A' ' 61' ' ' TRP . 24.2 m95 -118.58 98.63 6.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -68.03 142.94 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.51 125.09 2.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.565 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 58' ' ' LEU . 7.4 tt -89.83 150.42 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' N ' HD23 ' A' ' 70' ' ' LEU . 65.8 m-85 -139.99 120.85 14.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.27 110.01 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.3 mtt -117.34 162.34 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.12 137.94 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.11 157.07 35.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 100.38 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.58 151.04 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -79.09 -3.22 44.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -139.44 -47.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.36 . . . . 0.0 110.708 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -83.8 -171.33 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -172.33 2.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -62.42 128.23 35.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -100.64 124.93 40.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.28 163.07 25.19 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.406 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.2 mt -147.94 117.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.685 ' HB3' HG23 ' A' ' 112' ' ' VAL . . . -97.34 148.31 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -157.39 145.37 11.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.483 ' HE1' HD12 ' A' ' 70' ' ' LEU . 63.0 m-85 -156.89 116.19 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.41 169.03 25.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.622 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -121.56 121.78 38.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -111.57 153.02 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.44 121.36 44.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 t -74.08 145.32 44.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -151.91 107.91 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -109.36 146.9 34.91 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 179.52 5.32 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.473 2.115 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 tp -106.75 63.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.44 -63.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -106.86 131.98 53.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.39 34.3 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -107.71 -51.54 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.43 118.95 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -106.18 134.48 49.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.98 135.42 53.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.6 130.97 5.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 107' ' ' GLY . 0.4 OUTLIER -148.21 128.4 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.811 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 106' ' ' LEU . . . 178.7 -159.94 25.4 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.562 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.68 ' HB3' HD21 ' A' ' 126' ' ' LEU . 55.6 m-85 -113.79 162.82 15.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 44.3 m -139.28 118.07 12.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.71 114.07 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -124.84 156.9 18.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 86' ' ' ALA . 5.1 m -116.0 140.13 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 135.43 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -96.4 139.89 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -174.79 91.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.46 -174.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -92.75 -52.52 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -98.18 105.76 17.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.82 108.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -132.37 -69.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.8 pt -128.45 139.2 34.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 177.97 8.07 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.541 2.161 . . . . 0.0 112.393 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 mt -113.34 89.16 14.13 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.98 152.22 73.34 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 m -150.03 123.37 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -115.97 123.69 48.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 127' ' ' LEU . 2.1 mp -146.43 156.55 49.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.9 147.77 94.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.571 2.181 . . . . 0.0 112.154 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.33 148.21 28.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.64 133.75 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.9 p -117.11 150.4 38.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.3 118.81 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.03 114.14 4.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.89 114.96 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 59.52 -150.49 38.04 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.74 -5.99 17.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.645 2.23 . . . . 0.0 112.731 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.3 m -112.34 155.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.829 0.347 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.68 125.15 39.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.39 143.6 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.14 147.29 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 28.7 mtt -154.98 133.76 12.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.7 t -114.58 135.46 54.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -104.91 157.59 17.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 2.9 tp -100.64 133.01 21.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.2 132.25 20.68 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 145.7 146.65 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.476 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.14 33.73 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.44 167.47 2.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -101.63 118.69 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.4 170.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.95 28.51 56.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -81.25 149.72 28.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.73 129.45 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -111.82 138.31 48.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -104.07 133.65 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.75 168.02 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -160.97 162.31 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 1.3 mmt -110.41 138.44 46.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -129.44 152.35 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.54 141.76 46.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.26 118.22 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -105.1 124.67 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 164' ' ' GLU . 0.1 OUTLIER -116.82 144.18 44.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.548 ' H ' HD13 ' A' ' 163' ' ' LEU . 5.3 mt-10 -112.97 106.59 14.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -104.27 179.02 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -42.15 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -104.72 128.7 52.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -148.65 36.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -62.43 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.911 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttm . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.753 0.311 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -120.48 79.58 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.56 -22.67 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.482 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -76.95 -57.06 4.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.36 -26.0 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -78.98 -30.58 44.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -46.95 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -59.65 -39.97 86.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -30.89 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.56 ' CD2' HD11 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -68.98 -52.58 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -59.56 -30.54 68.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -45.44 44.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.581 ' O ' HG23 ' A' ' 17' ' ' THR . 3.0 m-80 -61.87 -41.14 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 10' ' ' PHE . 18.2 mt -73.14 -30.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.5 -55.09 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.82 -31.54 69.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 13' ' ' ASN . 27.6 p -72.23 -30.02 64.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -75.22 -44.84 44.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -73.21 -19.95 60.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -54.39 -61.08 6.08 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.135 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 20' ' ' GLN . 54.5 Cg_endo -69.67 -167.83 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.484 2.123 . . . . 0.0 112.354 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 62.71 110.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -143.29 135.59 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -90.22 135.46 33.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -126.67 121.39 31.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.43 129.42 55.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -124.98 112.98 17.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -139.97 138.78 20.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.8 161.61 4.44 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.4 2.066 . . . . 0.0 112.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.61 -31.13 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -106.74 131.35 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.44 -69.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -168.31 143.25 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -103.54 110.29 22.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.27 -42.39 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 60.71 34.23 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -124.56 31.7 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.4 118.62 13.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.08 128.26 33.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -72.27 97.97 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -156.17 -65.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 60.26 105.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 167.64 26.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 m -127.08 141.96 51.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -108.99 -176.65 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -70.37 -34.55 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 47' ' ' TYR . 55.7 p90 -83.68 121.59 27.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.89 155.48 23.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 135.39 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -104.02 90.62 3.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.16 135.22 33.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.493 2.128 . . . . 0.0 112.386 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -122.98 26.36 8.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -167.38 54.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -175.82 176.78 47.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -139.25 161.33 26.02 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -149.01 139.59 22.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.95 -164.79 30.81 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.13 178.04 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -154.49 170.76 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.75 138.05 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -103.83 136.05 44.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.5 120.69 42.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.36 -23.24 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -26.11 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.76 42.5 0.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -132.03 155.2 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -140.18 101.45 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -98.96 137.29 37.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.66 124.35 2.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.646 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 88' ' ' TYR . 4.9 tp -121.2 128.87 52.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.651 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 2.9 p90 -158.19 166.04 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . . . -108.6 109.91 21.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.7 ttt -99.21 171.97 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.636 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.53 137.96 4.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.368 . . . . 0.0 111.429 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -128.21 106.9 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.482 179.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 82' ' ' TRP . 35.3 mttm -125.51 129.02 48.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.51 -169.29 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 p -86.8 -28.94 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -173.28 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -106.03 -159.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.24 27.57 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -64.51 157.3 27.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -154.27 157.26 32.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.185 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.68 153.46 26.37 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.411 HG22 ' OG1' ' A' ' 113' ' ' THR . 2.1 pp -156.05 133.8 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.211 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 72' ' ' ALA . . . -135.62 158.04 45.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.02 -162.39 36.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.529 ' HB3' HD12 ' A' ' 70' ' ' LEU . 31.5 p90 -131.47 153.01 50.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.38 130.8 6.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.1 p-90 -108.82 137.75 46.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -154.98 153.07 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -100.75 122.04 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 m -93.78 147.74 22.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -144.69 148.25 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.94 101.95 48.91 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.65 -46.29 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.11 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.53 178.45 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.48 37.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.18 -66.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -141.56 -47.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -176.61 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.99 103.29 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 134.07 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.681 ' HG ' HG13 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -152.52 116.0 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -157.1 175.02 34.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' A' ' 130' ' ' ALA . 3.2 mp -142.84 169.33 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.25 -161.34 30.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -133.68 132.92 41.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.8 m -96.14 120.66 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -100.3 125.24 46.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.08 162.3 23.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.7 m -146.13 143.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.228 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.411 ' OG1' HG22 ' A' ' 85' ' ' ILE . 29.2 m -112.44 125.47 54.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.64 143.44 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -90.28 -179.35 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.84 -35.34 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -76.24 -27.8 56.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 63.79 91.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.61 139.74 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 60.19 -177.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 122' ' ' PRO . 2.5 pp -71.98 148.03 91.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.636 ' O ' HD12 ' A' ' 121' ' ' ILE . 56.0 Cg_endo -70.37 -168.06 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.617 2.212 . . . . 0.0 112.288 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.2 90.6 3.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.06 149.14 71.05 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.498 2.132 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.69 144.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 mp -136.91 126.15 24.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.759 HD12 HD11 ' A' ' 129' ' ' LEU . 0.5 OUTLIER -133.84 133.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.37 126.02 9.46 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.759 HD11 HD12 ' A' ' 127' ' ' LEU . 3.4 mp -129.83 170.88 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.439 ' HB2' ' HG ' ' A' ' 106' ' ' LEU . . . -141.94 123.4 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -90.94 114.05 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.681 HG13 ' HG ' ' A' ' 104' ' ' LEU . 21.4 t -143.72 122.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.89 -168.29 40.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.98 147.09 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.49 -148.31 44.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.24 -11.28 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.599 2.199 . . . . 0.0 112.57 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.32 128.77 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.01 131.38 30.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -102.19 138.66 38.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -114.41 139.3 49.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 4.4 tpp -121.09 118.87 30.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.54 116.16 31.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -150.52 124.14 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 144' ' ' ILE . 3.8 mp -86.14 122.92 72.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 169.85 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.464 2.11 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.5 135.2 4.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 79.13 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.92 141.3 40.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.79 37.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -163.69 115.34 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 98.1 29.65 7.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.0 90.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 153' ' ' VAL . 27.0 m -98.57 120.98 48.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -127.7 124.04 36.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.62 151.77 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.4 139.59 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 129' ' ' LEU . 9.5 m0 -121.19 165.7 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.2 mtt -104.83 145.54 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -129.84 135.09 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.2 124.14 36.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -98.69 113.04 24.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -94.43 137.27 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 163' ' ' LEU . 13.1 tp -144.38 163.24 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.52 139.79 49.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -110.85 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -171.87 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -59.95 177.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -159.56 31.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 55.0 m80 60.4 107.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 68.7 t60 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.924 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mtt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.786 0.326 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -116.75 142.28 47.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.55 -21.34 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.349 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.04 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.891 0.377 . . . . 0.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 9' ' ' THR . 1.5 mp0 -70.4 -26.01 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.32 -43.54 70.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -37.08 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -59.58 -39.61 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 5' ' ' GLU . 69.7 p -69.76 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.81 -38.07 89.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.96 94.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -70.96 -31.3 67.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -61.61 -56.99 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 pt -70.47 -34.11 56.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.46 94.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.06 -33.5 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 m -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -73.83 -29.24 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -59.59 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -121.97 84.09 44.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.49 151.71 17.78 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.577 2.185 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -94.3 -68.96 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -158.96 170.42 22.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -115.17 140.98 48.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -141.18 124.49 16.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HG ' ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -102.21 146.64 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 124.98 44.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.5 149.57 44.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 177.65 5.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 31' ' ' ILE . . . -119.42 -41.42 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 30' ' ' ALA . 3.9 mp -117.31 142.39 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -82.35 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.1 126.04 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 171.01 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.94 132.48 35.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.58 155.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.41 100.23 9.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.03 151.92 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -93.79 103.37 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -113.08 141.05 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -91.25 -44.09 9.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 60.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -112.84 -171.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.486 HG22 ' H ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -62.12 -177.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 44' ' ' THR . 1.4 m-20 62.02 116.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -98.92 32.4 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -81.39 96.96 7.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -89.83 135.55 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.66 151.51 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -139.55 79.23 24.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.67 -174.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.322 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -133.0 124.52 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.7 172.95 23.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.56 166.63 18.05 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.15 141.86 13.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.42 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 7.4 m-85 -148.0 153.62 39.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.593 ' C ' HD12 ' A' ' 58' ' ' LEU . . . 172.89 -166.54 39.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 57' ' ' GLY . 6.8 mp -135.16 176.53 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 142.48 43.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -107.03 142.08 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -108.32 135.95 48.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' HB2' ' HB3' ' A' ' 66' ' ' ASN . 2.8 t0 -110.23 130.77 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -14.82 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.498 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.88 26.03 2.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.745 0.307 . . . . 0.0 111.308 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.8 48.22 28.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.661 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -132.06 154.05 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.73 103.08 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 70' ' ' LEU . 1.3 t-80 -81.4 126.0 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.795 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -112.25 109.92 2.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.571 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 68' ' ' HIS . 4.2 mp -123.46 130.26 52.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.06 156.82 42.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.21 113.67 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.426 ' HG3' HD12 ' A' ' 85' ' ' ILE . 5.0 ptt? -111.53 154.1 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 152.38 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -138.05 155.7 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 97.0 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -173.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.4 m -81.59 -2.97 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.428 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.2 20.58 8.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.718 0.294 . . . . 0.0 111.26 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.2 m120 54.3 30.52 12.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.18 45.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -87.29 113.14 22.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.21 124.97 85.72 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.33 143.45 19.69 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.485 2.123 . . . . 0.0 112.405 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.426 HD12 ' HG3' ' A' ' 73' ' ' MET . 22.7 mt -134.9 116.99 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.41 139.91 31.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.02 136.02 5.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -171.37 -179.47 42.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -122.96 145.51 48.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.82 153.0 30.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 t -113.01 128.29 56.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.96 136.66 47.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -148.58 159.0 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -130.62 148.05 68.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HG2' ' CE1' ' A' ' 102' ' ' PHE . 50.5 Cg_exo -53.66 -172.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.586 2.191 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tp -102.77 31.82 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.98 -64.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.67 170.82 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -109.96 54.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -102.42 -49.54 3.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.434 ' CE1' ' HG2' ' A' ' 96' ' ' PRO . 45.9 p90 -111.47 136.26 50.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -116.47 162.14 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.72 124.62 28.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.68 147.81 18.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.1 tt -153.53 126.66 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -176.54 -160.02 23.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 149.04 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 m -132.79 117.18 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.83 139.16 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.47 176.38 21.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.04 137.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.282 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.44 137.44 54.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.77 123.04 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -169.68 117.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.56 171.0 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.86 -68.89 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -76.81 -67.88 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -173.51 142.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -171.27 169.59 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 tp -93.43 135.09 25.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.61 167.44 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.592 2.195 . . . . 0.0 112.081 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.03 88.5 5.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -78.19 131.11 10.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.619 2.212 . . . . 0.0 112.201 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.73 121.65 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.9 118.5 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.493 ' O ' HD12 ' A' ' 129' ' ' LEU . 16.0 mt -147.87 156.04 44.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.26 130.93 23.7 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.6 2.2 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.728 ' CD1' HG23 ' A' ' 142' ' ' THR . 6.4 mp -122.3 170.56 9.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -151.42 124.32 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m -123.35 162.04 23.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 139' ' ' PHE . 29.6 m -131.42 135.8 58.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -94.01 113.17 4.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.588 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.44 115.01 8.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.09 -150.24 40.44 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.46 -4.08 14.8 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.581 2.187 . . . . 0.0 112.791 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.636 HG12 ' CE2' ' A' ' 160' ' ' PHE . 29.6 m -114.49 155.09 15.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 111.236 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.4 m -134.03 108.17 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.457 ' HB3' HG22 ' A' ' 132' ' ' VAL . 0.8 OUTLIER -71.03 146.0 49.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -136.18 160.06 39.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.816 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.94 158.49 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.728 HG23 ' CD1' ' A' ' 129' ' ' LEU . 3.1 m -132.0 126.16 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -148.16 140.87 24.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.458 HG13 HD22 ' A' ' 127' ' ' LEU . 3.7 mp -92.62 110.78 47.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -50.98 158.49 3.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.486 2.124 . . . . 0.0 112.383 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 102.4 -156.2 18.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.6 t -176.75 147.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -140.96 -47.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -162.9 -65.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -100.4 -35.2 9.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 25.62 27.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.48 -169.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.78 130.47 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.37 136.47 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -105.05 138.07 41.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -109.09 133.58 52.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -138.49 157.11 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 11.4 ttm -134.18 149.98 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -151.86 128.2 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . 0.636 ' CE2' HG12 ' A' ' 137' ' ' VAL . 97.7 m-85 -100.89 146.98 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -110.71 130.2 55.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.25 138.49 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -150.68 167.88 26.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -125.93 89.5 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.4 143.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.34 -56.39 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.75 36.08 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -144.98 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 3.1 m170 60.43 96.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.828 0.347 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -149.08 127.43 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.31 61.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.96 -57.12 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.926 0.393 . . . . 0.0 110.693 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 8' ' ' THR . 4.4 mt-10 -69.72 -25.9 64.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.677 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -74.73 -32.19 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 mtt -78.11 -46.52 20.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 5' ' ' GLU . 9.3 t -59.39 -46.94 87.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.443 ' N ' HG23 ' A' ' 8' ' ' THR . 10.7 t -59.84 -44.26 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 9' ' ' THR . 1.2 t80 -68.67 -46.09 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -34.86 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.03 -34.48 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' HG22 ' A' ' 17' ' ' THR . 5.7 t-20 -67.43 -52.04 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tp -64.19 -33.2 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.065 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.04 -30.9 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -49.5 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 13' ' ' ASN . 3.5 t -58.63 -30.43 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -56.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -58.77 -60.81 3.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.73 75.95 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 172.06 0.16 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.616 2.21 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -95.86 -46.61 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -145.6 126.83 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -79.32 133.52 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.84 150.37 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' CE1' ' A' ' 162' ' ' PHE . 1.3 tt -133.39 125.32 28.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -91.83 114.41 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 HD22 ' A' ' 26' ' ' LEU . 2.8 pp -146.57 155.07 49.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.2 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.13 177.41 3.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.6 -69.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 32' ' ' THR . 4.2 pt -126.24 169.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 31' ' ' ILE . 6.9 p -161.46 108.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.5 m0 60.69 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -126.65 80.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.9 131.82 55.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.0 35.12 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.89 145.11 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.04 -172.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 21.5 p90 -121.34 96.33 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.74 132.6 35.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -78.59 97.83 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -123.34 -45.5 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 165.28 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 t -151.53 168.17 25.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.08 -171.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 63.67 101.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.4 140.08 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -120.97 145.09 48.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -113.76 151.64 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -90.49 106.53 15.45 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.35 157.58 61.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.45 2.1 . . . . 0.0 112.24 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -112.31 179.55 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.76 100.6 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -157.66 23.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.56 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.91 -157.33 26.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 26.7 m-85 -136.48 174.03 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.53 170.57 43.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mp -127.28 177.89 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.15 157.39 43.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -145.49 149.84 35.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -94.74 139.74 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -114.6 127.11 55.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -51.36 -23.36 3.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.625 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 26.11 1.8 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.68 0.276 . . . . 0.0 111.312 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.27 48.13 87.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.0 130.19 41.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.806 0.336 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -108.29 99.29 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -78.66 138.54 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.75 120.19 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.542 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 70' ' ' LEU . 3.8 pp -123.7 120.97 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.45 ' CE2' ' CE2' ' A' ' 27' ' ' TYR . 55.5 p90 -140.99 162.73 34.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.87 119.24 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ptp -117.6 172.54 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.09 142.4 26.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -112.31 126.21 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -122.03 115.71 22.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -175.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -31.26 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -83.45 -77.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -170.2 34.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -101.88 81.17 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -111.48 131.54 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -144.13 141.59 18.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.07 156.65 38.36 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.599 2.199 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.4 mt -150.36 124.27 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -114.47 157.91 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.6 136.76 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.486 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 70' ' ' LEU . 11.3 t80 -157.01 128.89 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.02 -159.66 15.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 51.4 p-90 -138.38 150.01 46.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.96 143.09 33.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.1 m -88.31 111.11 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 p -79.89 148.88 31.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.4 136.02 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.78 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -123.41 151.56 63.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.31 -23.02 28.76 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.611 2.207 . . . . 0.0 112.415 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.0 mt 62.06 79.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -175.54 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -109.56 -25.82 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 63.69 79.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -152.72 -46.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.31 111.0 21.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.76 118.0 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 132' ' ' VAL . 3.9 pp -111.24 148.09 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.633 ' O ' ' HB1' ' A' ' 130' ' ' ALA . . . -154.6 161.14 30.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 tt -159.62 140.74 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.56 -159.98 23.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 128' ' ' PRO . 6.8 m-85 -120.32 149.32 42.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.518 HG21 HD21 ' A' ' 129' ' ' LEU . 68.7 p -129.94 136.56 49.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.27 114.02 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.2 136.97 13.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 86' ' ' ALA . 25.8 m -116.01 139.49 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -146.36 131.49 18.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -103.04 130.31 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -153.16 102.77 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -168.14 -178.2 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -104.01 112.14 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.4 m0 59.9 36.27 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 121' ' ' ILE . 1.5 t-20 -145.33 161.73 38.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -139.44 77.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.45 HG23 ' OD1' ' A' ' 119' ' ' ASN . 1.6 pt -108.27 109.81 61.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 119.78 6.81 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.423 2.082 . . . . 0.0 112.29 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.6 mt -99.78 98.99 7.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.27 156.53 64.34 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.354 2.036 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.656 ' O ' HD23 ' A' ' 127' ' ' LEU . 21.7 t -149.19 130.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.18 120.07 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 125' ' ' VAL . 0.4 OUTLIER -144.42 99.95 4.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.789 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 55.8 Cg_endo -70.13 141.37 43.56 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.496 2.131 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 HG21 ' A' ' 109' ' ' THR . 1.7 pp -155.36 170.9 20.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.633 ' HB1' ' O ' ' A' ' 105' ' ' GLY . . . -148.46 157.49 43.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 p -130.62 130.49 44.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 104' ' ' LEU . 17.4 m -139.56 132.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.46 -149.08 21.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.616 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.86 ' O ' HG23 ' A' ' 138' ' ' THR . 0.1 OUTLIER -94.41 147.27 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.914 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 136' ' ' PRO . . . -45.98 -58.53 5.54 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.014 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 135' ' ' GLY . 25.7 Cg_endo -62.24 -30.77 81.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.417 2.078 . . . . 0.0 112.379 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 137' ' ' VAL . 6.0 m -136.84 110.92 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 134' ' ' TYR . 0.7 OUTLIER -134.79 148.03 50.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.469 ' CE1' ' HB1' ' A' ' 156' ' ' ALA . 3.8 t80 -102.28 124.69 48.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.09 139.84 39.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.13 118.18 30.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -103.46 127.1 50.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -111.46 119.52 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 153' ' ' VAL . 4.4 mt -84.95 129.73 55.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -73.55 127.48 11.78 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -168.82 -100.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 90.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -143.56 -57.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -158.35 -46.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -152.65 169.79 21.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.63 33.09 8.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.27 103.84 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' ILE . 8.9 p -133.14 148.2 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -107.25 127.58 53.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -105.89 120.25 41.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 139' ' ' PHE . . . -114.51 155.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -148.19 138.62 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 4.9 mtt -90.85 144.85 25.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.26 135.6 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -126.08 143.58 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -126.17 115.29 19.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.692 ' CE1' HD12 ' A' ' 26' ' ' LEU . 27.9 p90 -136.95 -175.16 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 9.2 mt -119.57 148.98 42.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.91 144.57 50.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -117.19 -63.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -121.42 -175.15 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.72 170.82 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -60.14 111.37 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -95.2 168.53 10.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.905 -179.999 . . . . . . . . 0 0 . 1 stop_ save_